SCHEMBL7501679

SCHEMBL7501679

COc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.55
PTGS1 P23219 14/20 0.55
CDK2 P24941 1/20 0.46
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL7505035 0.96 PTGS2 (0.57) PTGS2PTGS1CDK2ABCB11ALDH1A1
SCHEMBL7500555 0.91 PTGS2 (0.52) PTGS2PTGS1MAPT
SCHEMBL7507652 0.91 PTGS2 (0.45) PTGS2PTGS1MAPT
Benzenesulfonamide SCHEMBL8592756 0.90 PTGS2 (0.44) PTGS2PTGS1MAPT
SCHEMBL7505718 0.89 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7501079 0.88 CA1 (0.47) PTGS2PTGS1MAPT
SCHEMBL7504879 0.87 PTGS2 (0.55) PTGS2PTGS1MAPT
SCHEMBL7503580 0.87 PTGS2 (0.49) PTGS2PTGS1MAPT
SCHEMBL7503476 0.87 PTGS2 (0.47) PTGS2PTGS1MAPT
SCHEMBL8560736 0.87 PTGS2 (0.47) PTGS2PTGS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP claimed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed