SCHEMBL10370549

SCHEMBL10370549

COc1ccc2sc(S(N)(=O)=O)cc2c1OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.67
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10368156 0.80 CA2 (1.00) CA2NPC1CYP3A4RAB9ACA12
SCHEMBL10369128 0.76 CA2 (0.65) CA2CA12CA1CA9
SCHEMBL10371737 0.71 CA2 (0.62) CA2
SCHEMBL3484002 0.71 CA2 (0.49) CA2
SCHEMBL10368876 0.70 CA2 (0.61) CA2
SCHEMBL10369539 0.69 CA2 (0.65) CA2
SCHEMBL2087596 0.69 CA2 (1.00) CA2
SCHEMBL10370357 0.68 CA2 (0.57) CA2
SCHEMBL10369819 0.68 CA2 (0.57) CA2
SCHEMBL10370711 0.68 CA2 (0.57) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129478-B1 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-01-17 EP disclosed
US-4788192-A TOPICALLY APPLYING; FOR GLAUCOMA MERCK & CO., INC. (US) 1988-11-29 US disclosed
US-4668697-A Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 EP disclosed