SCHEMBL9831469

SCHEMBL9831469

NS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(O)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.63
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 1/20 0.55
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
CA7 P43166 1/20 0.46
LOX P28300 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL9828663 0.81 CA2 (0.63) CA2CA12CA9CA1GAA
SCHEMBL9235944 0.81 LOX (0.61) CA2CA12CA9CA1CA7
SCHEMBL9139919 0.81 CA2 (0.49) CA2CA12CA9CA1GAA
SCHEMBL10589348 0.81 CA2 (0.59) CA2CA12CA9CA1CA7
SCHEMBL9827924 0.79 CA2 (0.58) CA2CA12CA9CA1CA7
SCHEMBL9139390 0.78 CA2 (0.46) CA2CA12CA9CA1GAA
SCHEMBL19274520 0.77 LOX (0.73) LOXLOXL2
SCHEMBL9830538 0.77 CA2 (0.49) CA2CA12CA9CA1CA7
SCHEMBL29724901 0.77 GAA (0.67) CA2CA12CA9CA1GAA
SCHEMBL18838 0.77 GAA (0.67) CA2CA12CA9CA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4542152-A GLAUCOMA MERCK & CO., INC. (US) 1985-09-17 US claimed
EP-0295049-B1 THIOPHENE SULFONAMIDE ANTIGLAUCOMA AGENTS MERCK & CO. INC. (US) 1991-10-09 EP disclosed
EP-0130109-B1 DERIVATIVES OF THIOPHENESULFONAMIDE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TOPICAL TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1989-09-13 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
US-4585787-A GLAUCOMA MERCK & CO., INC. (US) 1986-04-29 US disclosed
US-4542152-A GLAUCOMA MERCK & CO., INC. (US) 1985-09-17 US disclosed
EP-0130109-A2 Derivatives of thiophenesulfonamide, their preparation and pharmaceutical composition for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1985-01-02 EP disclosed
US-4477466-A Acyloxy derivatives of [phenylsulfonyl(or sulfinyl)]thiophenesulfonamide for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1984-10-16 US disclosed