Chemical Patent Curation and Management - new tools and capabilities

ARPAD FIGYELMESI, KRISZTIAN NIESZ

Use Cases: • For pharma companies to build project specific in-house databases supporting idea

generation, selection of lead candidates, drug design and new patents. • For data providers to improve the speed and quality of chemical information

extraction. • For patent offices to find inconsistencies inside documents and analyse the

potential overlap of claimed chemical spaces.

Integrated Technologies: • English, Chinese & Japanese Name to Structure • Document Annotation • Markush Editor • Markush Enumeration • Structure Checker • Markush Search

Features: • Capabile of recognizing and highlighting chemical structures in HTML, PDF to help

localize relevant information. • Industry leading Markush feature support including : atom list, bond list, position

variation bond, repetition units, multiply-connected R-groups, heavily nested R-groups and homology groups.

• Drag and drop example structures and Markush fragments from annotated documents to the structure editor.

• Built in patent Markush Editor for complex Markush structure definition. • Built in Structure Checker to prevent drawing errors. • On-the-fly validation of Markush structures against example structures • Two way linking between the extracted structures and the original document. • Project handling capability to help organize your work and share with colleagues

and other applications.

ChemAxon Ltd, 1031 Budapest, Zahony u. 7, Hungary www.chemaxon.com

• Google Patent documents • PDF Patent documents • Multilinguial journal articles

Background & Motivation: • Understanding the competitors’ patent portfolios and protecting their own IP are

key questions for all life science research companies. • Existing databases are optimized for patent searching and are not accurate enough

for medicinal chemists. • Manual processing of patent documents is time consuming and needs special

expertise.

Accurate, high quality representation

• Markush structures • Example structures • Reactions

• JChem for Excel • Instant JChem • KNIME workflows • JChem (Cartridge) • Plexus

Project explorer

Structure checker

Annotated document

Selected structures

Markush editor

Example structures

1. Import documents from various formats. 2. Automatically recognize and annotate chemical

names and structures. 3. Interactively extract Examples, Markush

structures and related activity data. 4. Save all information into a searchable database.

ChemCurator is a new software tool to give high quality, interactive computer-assisted extraction of chemical information from English and Asian patents.

Availability: The ChemCurator will be available in Q2/3 2014. Functionality will be included within the following ChemAxon products: