SCHEMBL7500465

SCHEMBL7500465

CS(=O)(=O)c1ccc(-c2nc(COc3cccc(F)c3)oc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.53
PTGS1 P23219 3/20 0.49
PPARD Q03181 8/20 0.49
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
NR4A2 P43354 1/20 0.42
RXRG P48443 1/20 0.41

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
SCHEMBL7505291 1.00 PTGS2 (0.53) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7502828 0.95 PTGS2 (0.56) PTGS2PTGS1PPARD
SCHEMBL8549476 0.90 PTGS2 (0.51) PTGS2PTGS1RXRARXRBNR4A2
SCHEMBL7503309 0.90 PTGS1 (0.48) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7505707 0.90 PTGS1 (0.48) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7505683 0.90 PTGS2 (0.59) PTGS2PTGS1PPARD
SCHEMBL7506240 0.90 PTGS2 (0.62) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7510198 0.90 PTGS2 (0.62) PTGS2PTGS1PPARDRXRARXRB
SCHEMBL7497858 0.89 PTGS2 (0.58) PTGS2PTGS1PPARDNR4A2
SCHEMBL7505609 0.89 PTGS2 (0.58) PTGS2PTGS1PPARDNR4A2

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 5 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 disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 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