SCHEMBL6167767

SCHEMBL6167767

CSc1ccc(-c2c(-c3ccccc3)noc2CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.63
PTGS1 P23219 2/20 0.63
PDE3A Q14432 1/20 0.63

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
SCHEMBL6168496 0.88 PTGS2 (0.69) PTGS2PTGS1PDE3A
SCHEMBL14345230 0.84 PTGS2 (0.65) PTGS2PTGS1PDE3A
SCHEMBL14345129 0.84 PTGS2 (0.65) PTGS2PTGS1PDE3A
SCHEMBL22827965 0.82 PTGS2 (0.56) PTGS2PTGS1PDE3A
SCHEMBL5698463 0.81 PTGS2 (0.63) PTGS2PTGS1PDE3A
SCHEMBL6170017 0.81 PTGS2 (0.63) PTGS2PTGS1PDE3A
SCHEMBL4881634 0.79 PTGS2 (0.77) PTGS2PTGS1PDE3A
SCHEMBL8994990 0.78 PTGS2 (0.68) PTGS2PTGS1PDE3A
SCHEMBL4029668 0.78 PTGS2 (0.50) PTGS2PTGS1
Mofezolac SCHEMBL151701 0.77 PTGS2 (1.00) PTGS2PTGS1PDE3A

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-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed