SCHEMBL7706947

COc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)cc1.CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS2	P35354	15/20	0.59

▸	PTGS1	P23219	7/20	0.59

▸	ALOX5	P09917	1/20	0.48

▸	CA1	P00915	1/20	0.47

▸	CA2	P00918	1/20	0.47

▸	CYP2C9	P11712	1/20	0.46

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.

Compound	similarity	top predicted	shared targets
SCHEMBL5202675	0.94	PTGS2 (0.65)	PTGS2PTGS1CYP2C9
SCHEMBL6885294	0.94	PTGS2 (0.65)	PTGS2PTGS1CYP2C9
SCHEMBL5202252	0.92	PTGS2 (0.53)	PTGS2PTGS1ALOX5CYP2C9
SCHEMBL6880090	0.92	PTGS2 (0.53)	PTGS2PTGS1ALOX5CYP2C9
SCHEMBL6887276	0.86	PTGS2 (0.59)	PTGS2PTGS1CYP2C9
SCHEMBL5201186	0.84	PTGS2 (0.53)	PTGS2PTGS1CYP2C9
SCHEMBL5204710	0.84	PTGS2 (0.65)	PTGS2PTGS1ALOX5CA1CA2
SCHEMBL5204765	0.84	PTGS2 (0.58)	PTGS2PTGS1CYP2C9
SCHEMBL1382505	0.84	PTGS2 (0.65)	PTGS2PTGS1ALOX5CA1CA2
SCHEMBL6132473	0.84	PTGS2 (0.67)	PTGS2PTGS1CYP2C9

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1246809-A1	5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM	LABORATOIRE THERAMEX (MC)	2002-10-09	—	—	EP	claimed
WO-2001034577-A1	5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM	LABORATOIRE THERAMEX (MC)	2001-05-17	—	—	WO	claimed