SCHEMBL528644

SCHEMBL528644

NS(=O)(=O)c1cccc2cc3ccccc3cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.68
CA1 P00915 12/20 0.68
CA9 Q16790 10/20 0.68
CDK2 P24941 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 6/20 0.47
CA6 P23280 3/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
CYP2C9 P11712 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPK1 P28482 1/20 0.46
LDHA P00338 1/20 0.46
ATIC P31939 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28055479 0.85 CA1 (0.55) CA2CA1CA9CDK2KDM4E
SCHEMBL3768625 0.83 HTR6 (0.46) CA2CA1CA9CDK2KDM4E
SCHEMBL660554 0.82 ALDH1A1 (0.44) CA2CA1CA9CDK2KDM4E
SCHEMBL29623319 0.82 TTR (0.50) CA2CA1CA9CDK2KDM4E
SCHEMBL155232 0.82 TTR (0.50) CA2CA1CA9CDK2KDM4E
Anthracene SCHEMBL27538789 0.82 TTR (0.50) CA2CA1CA9CDK2KDM4E
SCHEMBL29529240 0.81 CA2 (1.00) CA2CA1CA9CDK2KDM4E
SCHEMBL28464 0.81 CA2 (1.00) CA2CA1CA9CDK2KDM4E
Acridine SCHEMBL28003717 0.80 CA2 (0.58) CA2CA1CA9CDK2KDM4E
SCHEMBL725590 0.80 ALDH1A1 (0.43) CA2CA1CA9CDK2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034531-A1 SMALL MOLECULE ALLOSTERIC MODULATOR TO PAC1 RECEPTOR AND USES THEREOF THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2025-02-13 WO disclosed
WO-2023168066-A9 OXIME-BASED HOT MELT ADHESIVES FOR REWORK, REPAIR AND RECYCLE CONAGEN INC. (US) 2024-06-20 WO disclosed
EP-4362920-A1 COMPOSITIONS FOR DELIVERY OF MRNA Translate Bio, Inc. (US) 2024-05-08 EP disclosed
EP-4359380-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL) METHYL)BENZYL) AMINO)ISOINDOLINE-1,3-DIONE Celgene Corporation (US) 2024-05-01 EP disclosed
WO-2024086705-A2 BICYCLIC ENHANCERS OF THE PARTICULATE GUANYLYL CYCLASE RECEPTOR A UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-04-25 WO disclosed
WO-2024073745-A1 INHIBITORS OF EGFR OR HER2 AND METHODS OF USE ARBELLA THERAPEUTICS, LLC (US) 2024-04-04 WO disclosed
WO-2024026353-A2 ENZYMATIC SYNTHESIS OF MYCOSPORINE-LIKE AMINO ACIDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-02-01 WO disclosed
WO-2023168066-A1 OXIME-BASED HOT MELT ADHESIVES FOR REWORK, REPAIR AND RECYCLE CONAGEN INC. (US) 2023-09-07 WO disclosed
EP-4225322-A1 N-ACETYLGALACTOSAMINE(GALNAC)-DERIVED COMPOUNDS AND OLIGONUCLEOTIDES Adarx Pharmaceuticals, Inc. (US) 2023-08-16 EP disclosed
WO-2023114188-A1 IONIZABLE LIPIDS AND COMPOSITIONS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-22 WO disclosed
EP-0912504-B1 Oxazolidine ester UPJOHN CO (US) 2002-09-11 EP disclosed
US-6307064-B1 PHENYLISOSERINE ESTER OF SILYLATED BACCATIN III PHARMACIA & UPJOHN COMPANY 2001-10-23 US disclosed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP disclosed
US-6177573-B1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2001-01-23 US disclosed
US-6057452-A Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2000-05-02 US disclosed
EP-0912504-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1999-05-06 EP disclosed
CN-1216039-A Process for preparing taxol UPJOHN CO (US) 1999-05-05 CN disclosed
WO-1997042167-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1997-11-13 WO disclosed
US-5679769-A SOLID PHASE SYNTHESIS OF OLIGOSACCHARIDES-OLIGOPEPTIDES; ANTICARCINOGENIC AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-10-21 US disclosed
WO-1996040198-A1 SYNTHESIS OF ASPARAGINE-LINKED GLYCOPEPTIDES ON A POLYMERIC SOLID SUPPORT SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-12-19 WO disclosed