SCHEMBL7210588

SCHEMBL7210588

CC(=O)OCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 1.00
PTGS1 P23219 1/20 0.66

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
SCHEMBL5313386 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL470376 0.84 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6711246 0.83 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL8504233 0.83 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL3823978 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL3824466 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7680836 0.82 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL3824218 0.82 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL3827980 0.82 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL15072534 0.82 PTGS2 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP claimed
EP-0946507-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1999-10-06 EP claimed
WO-1998025896-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-06-18 WO claimed
EP-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 EP disclosed
EP-0946507-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1999-10-06 EP disclosed
WO-1998025896-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-06-18 WO disclosed