SCHEMBL5311642

SCHEMBL5311642

COc1ccc(-n2cccc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.71
PTGS1 P23219 8/20 0.57
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL5312437 1.00 PTGS2 (0.71) PTGS2PTGS1JAK2JAK3PTK2
SCHEMBL5314069 0.88 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5311859 0.88 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6282109 0.87 ALDH1A1 (0.56) PTGS2PTGS1ALDH1A1
SCHEMBL5311686 0.84 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5312538 0.84 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5311655 0.84 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5312009 0.84 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5309601 0.83 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5309608 0.83 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-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
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
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed