SCHEMBL7840968

SCHEMBL7840968

COc1ccc(OCc2nc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.71
PTGS1 P23219 3/20 0.68
PPARD Q03181 2/20 0.56

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
SCHEMBL7843553 0.97 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7841299 0.97 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7842153 0.93 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7840170 0.93 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7845657 0.92 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7832705 0.92 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7833510 0.92 PTGS2 (0.67) PTGS2PTGS1PPARD
SCHEMBL7844582 0.92 PTGS2 (0.67) PTGS2PTGS1PPARD
SCHEMBL7844270 0.91 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7840136 0.91 PTGS2 (0.72) 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 5 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 claimed
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