SCHEMBL7844008

SCHEMBL7844008

CS(=O)(=O)c1ccccc1-c1sc(NCc2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.54
PTGS1 P23219 3/20 0.49
ALOX5 P09917 1/20 0.44
ROCK2 O75116 1/20 0.43
GSK3B P49841 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 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
SCHEMBL7842558 0.88 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL7844187 0.86 PTGS2 (0.44) PTGS2PTGS1ALOX5MAPK14
SCHEMBL216750 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7840342 0.85 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL7843094 0.84 PTGS2 (0.43) PTGS2PTGS1ALOX5
SCHEMBL7846413 0.84 RORC (0.56) PTGS2
SCHEMBL7844602 0.84 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL7844651 0.83 PTPN1 (0.43) PTGS2PTGS1ALOX5
SCHEMBL7841078 0.83 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL7842946 0.83 PTGS2 (0.72) PTGS2PTGS1ALOX5PTGDR2

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