SCHEMBL9830133

SCHEMBL9830133

CC(O)c1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.49
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CA7 P43166 1/20 0.36
ENPP2 Q13822 1/20 0.34

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 0.86 CA2 (0.52) CA2CA12CA9CA1RAPGEF4
SCHEMBL9831048 0.83 CA2 (0.43) CA2CA12CA9CA1RAPGEF4
SCHEMBL9828431 0.81 CA2 (0.64) CA2GAA
SCHEMBL9828452 0.80 CA2 (0.54) CA2CA12CA9CA1RAPGEF4
SCHEMBL10388257 0.78 CA2 (0.38) CA2
SCHEMBL10387650 0.76 CA2 (0.40) CA2
SCHEMBL9830147 0.75 CA2 (0.40) CA2CA12CA9CA1
SCHEMBL9829741 0.70 CNR1 (0.53) CA2GAAPKM
SCHEMBL10388515 0.70 CA2 (0.39) CA2
SCHEMBL10649624 0.70 CA2 (0.43) CA2CA12CA9CA1

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