SCHEMBL9829741

SCHEMBL9829741

COc1ccc(S(=O)(=O)c2sc(S(N)(=O)=O)cc2C(C)NC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.53
CA2 P00918 5/20 0.46
ACACB O00763 1/20 0.41
CFTR P13569 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LOX P28300 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL9828921 0.84 CA2 (0.52) CNR1CA2CFTRGAAHSD17B10
SCHEMBL9828296 0.83 CA2 (0.47) CNR1CA2LOXPKM
SCHEMBL9829857 0.82 CNR1 (0.44) CNR1CA2ACACBGAAPKM
SCHEMBL10388231 0.79 CA2 (0.39) CA2
SCHEMBL10388046 0.77 CA2 (0.38) CA2ACACB
SCHEMBL9827840 0.75 CA2 (0.58) CA2CFTRGAALOXPKM
SCHEMBL9831048 0.72 CA2 (0.43) CA2
SCHEMBL9830133 0.70 CA2 (0.49) CA2GAAPKM
SCHEMBL4446314 0.65 ACACB (0.82) CNR1ACACB
SCHEMBL4446311 0.65 ACACB (0.82) CNR1ACACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295049-B1 THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1991-10-09 EP disclosed
US-4847289-A Thiophene sulfonamide antiglaucoma agents MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0295049-A2 Thiophene sulfonamide antiglaucoma agents MERCK & CO. INC. (US) 1988-12-14 EP disclosed