SCHEMBL7501616

SCHEMBL7501616

NS(=O)(=O)c1ccc(-c2nc(CO)oc2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.55
NR4A2 P43354 9/20 0.55
NR4A1 P22736 2/20 0.55
NR4A3 Q92570 2/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
RXRA P19793 8/20 0.52
RXRB P28702 7/20 0.52
RXRG P48443 4/20 0.52
PTGS1 P23219 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ABCC4 O15439 1/20 0.52
C5 P01031 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL6026434 1.00 PTGS2 (0.55) PTGS2NR4A2NR4A1NR4A3CA1
SCHEMBL8550570 0.90 NR4A2 (0.57) PTGS2NR4A2NR4A1NR4A3CA1
SCHEMBL8547030 0.90 NR4A2 (0.57) PTGS2NR4A2NR4A1NR4A3CA1
SCHEMBL8549338 0.88 MAOA (0.51) PTGS2CA1CA2CA12CA9
SCHEMBL7508637 0.88 PTGS2 (0.67) PTGS2CA1CA2CA12CA9
SCHEMBL5763378 0.87 NR4A2 (0.75) PTGS2NR4A2NR4A1NR4A3CA1
SCHEMBL5734304 0.87 NR4A2 (0.75) PTGS2NR4A2NR4A1NR4A3CA1
SCHEMBL7502159 0.87 PTGS2 (0.67) PTGS2NR4A2NR4A1NR4A3RXRA
SCHEMBL7502033 0.87 PTGS2 (0.67) PTGS2NR4A2NR4A1NR4A3RXRA
SCHEMBL7506769 0.87 PTGS2 (0.54) PTGS2NR4A2NR4A1NR4A3CA1

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 10 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
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO 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