SCHEMBL7501237

SCHEMBL7501237

NS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.61
PTGS1 P23219 6/20 0.61
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43

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
SCHEMBL7505500 1.00 PTGS2 (0.61) PTGS2PTGS1CA1CA2CA12
SCHEMBL7501428 0.93 CA1 (0.55) PTGS2PTGS1CA1CA2CA12
SCHEMBL7503191 0.93 CA1 (0.55) PTGS2PTGS1CA1CA2CA12
SCHEMBL7506561 0.91 RXRA (0.53) PTGS2PTGS1CA1CA2CA12
SCHEMBL7505596 0.91 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL7501412 0.90 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA12
SCHEMBL7507251 0.89 PTGS2 (0.48) PTGS2PTGS1CA1CA2CA12
SCHEMBL7501172 0.89 PTGS2 (0.48) PTGS2PTGS1CA1CA2CA12
SCHEMBL7503904 0.88 RXRA (0.53) PTGS2PTGS1CA1CA2CA12
SCHEMBL7504153 0.88 RXRA (0.53) PTGS2PTGS1CA1CA2CA12

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