SCHEMBL7843863

SCHEMBL7843863

NS(=O)(=O)c1ccc(-c2sc(S(=O)(=O)c3ccc(Br)cc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.62
PTGS1 P23219 7/20 0.56
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL7840301 1.00 PTGS2 (0.62) PTGS2PTGS1CA12CA2CA9
SCHEMBL7833848 0.94 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7843215 0.94 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7834434 0.89 PTGS2 (0.60) PTGS2PTGS1CA12CA2CA9
SCHEMBL7842673 0.89 PTGS2 (0.60) PTGS2PTGS1CA12CA2CA9
SCHEMBL7844087 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7841996 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7843422 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7841018 0.88 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7847237 0.88 PTGS2 (0.54) 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 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