SCHEMBL7501340

SCHEMBL7501340

CCOC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2)o1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.62
NR4A2 P43354 4/20 0.51
KMT2A Q03164 2/20 0.50
PTGS1 P23219 1/20 0.49
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TARBP2 Q15633 1/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL7500361 1.00 PTGS2 (0.62) PTGS2NR4A2KMT2APTGS1RXRA
SCHEMBL7499057 0.90 CA1 (0.58) PTGS2NR4A2KMT2APTGS1RXRA
SCHEMBL7505599 0.90 CA1 (0.58) PTGS2NR4A2KMT2APTGS1RXRA
SCHEMBL2117681 0.89 NR4A2 (0.63) NR4A2KMT2ARXRARXRBRXRG
SCHEMBL7504853 0.87 PTGS2 (0.63) PTGS2NR4A2PTGS1RXRARXRB
SCHEMBL7503287 0.87 PTGS2 (0.63) PTGS2NR4A2PTGS1RXRARXRB
SCHEMBL7509020 0.84 NR4A2 (0.73) PTGS2NR4A2PTGS1RXRARXRB
SCHEMBL7505639 0.84 NR4A2 (0.73) PTGS2NR4A2PTGS1RXRARXRB
SCHEMBL7503163 0.82 PTGS2 (0.60) PTGS2NR4A2KMT2APTGS1RXRA
SCHEMBL7501153 0.82 PTGS2 (0.60) PTGS2NR4A2KMT2APTGS1RXRA

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 7 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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US 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