SCHEMBL7505504

SCHEMBL7505504

CS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2cc(F)cc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.52
PTGS1 P23219 3/20 0.51
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
NR4A2 P43354 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
SCHEMBL7511037 0.96 RXRA (0.53) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7506306 0.91 PTGS2 (0.53) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7505741 0.91 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7506543 0.89 PTGS2 (0.53) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7505596 0.89 PTGS2 (0.50) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7502011 0.88 PTGS2 (0.66) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7504432 0.88 PTGS2 (0.66) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7501386 0.88 PTGS2 (0.52) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7501033 0.88 PTGS2 (0.51) PTGS2PTGS1NR4A2
SCHEMBL7510871 0.88 PTGS2 (0.56) PTGS2PTGS1RXRARXRBRXRG

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 6 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
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