SCHEMBL7210735

SCHEMBL7210735

Cc1cccnc1-c1cccn1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.59
PTGS1 P23219 1/20 0.46
ALOX5 P09917 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL7210726 0.88 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7210647 0.83 PTGS2 (0.58) PTGS2PTGS1ALOX5
SCHEMBL7211927 0.78 PTGS2 (0.59) PTGS2PTGS1ALOX5GPR119
SCHEMBL7211979 0.76 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7216681 0.76 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL7210775 0.76 PTGS2 (0.64) PTGS2PTGS1ALOX5
SCHEMBL7210403 0.75 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7211917 0.75 PTGS2 (0.70) PTGS2PTGS1ALOX5
SCHEMBL5594775 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7210547 0.74 PTGS2 (0.60) PTGS2PTGS1ALOX5GPR119

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 3 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-1369415-A1 Substituted pyrrolyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2003-12-10 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