SCHEMBL7501386

SCHEMBL7501386

Cc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.52
PTGS1 P23219 3/20 0.48
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NR4A2 P43354 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL7506922 0.96 PTGS2 (0.52) PTGS2PTGS1TP53MAPTRXRA
SCHEMBL7503762 0.92 PTGS2 (0.52) PTGS2PTGS1MAPTNR4A2RXRA
SCHEMBL7501033 0.92 PTGS2 (0.51) PTGS2PTGS1MAPTNR4A2
SCHEMBL7509029 0.91 PTGS2 (0.49) PTGS2PTGS1TP53MAPTNR4A2
SCHEMBL7505009 0.90 PTGS2 (0.55) PTGS2PTGS1MAPTNR4A2RXRA
SCHEMBL7506306 0.88 PTGS2 (0.53) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7505504 0.88 PTGS2 (0.52) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7506147 0.88 PTGS2 (0.52) PTGS2PTGS1MAPTNR4A2RXRA
SCHEMBL7504045 0.88 PTGS2 (0.52) PTGS2PTGS1MAPTNR4A2RXRA
SCHEMBL7506375 0.87 PTGS2 (0.51) PTGS2PTGS1MAPTNR4A2

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