SCHEMBL5698703

SCHEMBL5698703

CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 1.00
PTGS1 P23219 2/20 0.70
MAPK14 Q16539 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL7833636 0.94 PTGS2 (0.89) PTGS2PTGS1MAPK14
SCHEMBL7844973 0.94 PTGS2 (0.89) PTGS2PTGS1MAPK14
SCHEMBL7845070 0.93 PTGS2 (0.87) PTGS2PTGS1MAPK14
SCHEMBL7833377 0.93 PTGS2 (0.87) PTGS2PTGS1MAPK14
SCHEMBL7833462 0.93 PTGS2 (0.87) PTGS2PTGS1MAPK14
SCHEMBL7846431 0.93 PTGS2 (0.87) PTGS2PTGS1MAPK14
SCHEMBL7832998 0.93 PTGS2 (0.86) PTGS2PTGS1MAPK14
SCHEMBL7843084 0.92 PTGS2 (0.85) PTGS2PTGS1MAPK14
SCHEMBL214091 0.92 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7832739 0.91 PTGS2 (0.83) PTGS2PTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed