SCHEMBL7832417

SCHEMBL7832417

CS(=O)(=O)c1ccccc1-c1nc(S(=O)(=O)CF)sc1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.47
ALOX5 P09917 1/20 0.44
PTGS1 P23219 3/20 0.44

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
SCHEMBL7844925 0.92 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7842589 0.91 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7842993 0.89 PTGS2 (0.51) PTGS2ALOX5PTGS1
SCHEMBL7845334 0.89 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7832369 0.88 PTGS2 (0.51) PTGS2ALOX5PTGS1
SCHEMBL7845903 0.86 PTGS2 (0.47) PTGS2ALOX5PTGS1
SCHEMBL7832208 0.85 PTGS2 (0.44) PTGS2ALOX5PTGS1
SCHEMBL7845128 0.85 PTGS2 (0.53) PTGS2ALOX5PTGS1
SCHEMBL7846137 0.84 PTGS2 (0.45) PTGS2ALOX5PTGS1
SCHEMBL7842734 0.84 PTGS2 (0.48) PTGS2ALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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