SCHEMBL7215484

SCHEMBL7215484

Cc1c(COc2cccc(Cl)c2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 1.00
PTGS1 P23219 2/20 0.60

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
SCHEMBL8525764 0.92 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL7210642 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6711246 0.84 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7676523 0.84 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7682625 0.83 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7676356 0.83 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7680836 0.81 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6710559 0.81 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8525767 0.80 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7210588 0.78 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935990-A PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC G.D. SEARLE & CO. (US) 1999-08-10 US 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
US-5935990-A PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC G.D. SEARLE & CO. (US) 1999-08-10 US disclosed
WO-1998025896-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-06-18 WO disclosed