SCHEMBL7498583

SCHEMBL7498583

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

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.69
PTGS1 P23219 5/20 0.53
FAAH O00519 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7504769 0.88 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7502654 0.88 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL214222 0.88 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL19625341 0.85 NR4A2 (0.55) PTGS2PTGS1
SCHEMBL7505639 0.78 NR4A2 (0.73) PTGS2PTGS1
SCHEMBL7499682 0.78 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7512959 0.78 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7509020 0.78 NR4A2 (0.73) PTGS2PTGS1
SCHEMBL7502033 0.77 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7498544 0.77 PTGS2 (0.67) PTGS2PTGS1

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
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