SCHEMBL6168875

SCHEMBL6168875

NS(=O)(=O)c1ccc(-c2cccc(CO)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.68
CA9 Q16790 15/20 0.68
CA12 O43570 11/20 0.68
CA1 P00915 13/20 0.60
CA14 Q9ULX7 4/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
PTGES2 Q9H7Z7 2/20 0.54
ADAMTS4 O75173 1/20 0.53
PRKCI P41743 1/20 0.53
ACMSD Q8TDX5 1/20 0.53

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
SCHEMBL3720559 0.85 CA2 (0.70) CA2CA9CA12CA1CA14
SCHEMBL24721302 0.83 CA2 (0.68) CA2CA9CA12CA1CA14
SCHEMBL2025954 0.83 FYN (0.57) CA2CA9CA12PTGES2ADAMTS4
SCHEMBL7188667 0.83 PTGES2 (0.64) CA2CA9CA12CA1CA14
Biphenyl SCHEMBL2902198 0.83 PTGES2 (0.54) CA2CA9CA12CA1CA14
SCHEMBL15560613 0.83 CA2 (0.62) CA2CA9CA12CA1CA14
SCHEMBL5893183 0.82 CA2 (0.88) CA2CA9CA12CA1CA14
SCHEMBL185757 0.80 CA2 (0.61) CA2CA9CA12CA1CA14
SCHEMBL7064867 0.80 PTGS2 (0.68) CA2CA9CA12CA1CA14
SCHEMBL18297788 0.80 PRKCI (0.76) ADAMTS4PRKCIACMSD

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-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
EP-0809636-B1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-04 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-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed