SCHEMBL8791865

SCHEMBL8791865

COCC1CC(O)c2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.54
CA1 P00915 3/20 0.49
CA4 P22748 2/20 0.49
CA12 O43570 1/20 0.49
CA3 P07451 1/20 0.49
AR P10275 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL8792296 0.88 CA2 (0.54) CA2CA1CA4CA12CA3
SCHEMBL8792584 0.88 CA2 (0.63) CA2CA1CA4CA12CA3
SCHEMBL12454159 0.86 CA2 (0.69) CA2CA1CA4CA12CA3
SCHEMBL9738603 0.84 CA2 (0.70) CA2CA1CA4CA12CA3
SCHEMBL8792500 0.83 CA2 (0.48) CA2CA1CA4CA12CA3
SCHEMBL8794210 0.82 CA2 (0.56) CA2CA1CA4CA12CA3
SCHEMBL9739006 0.81 CA2 (0.52) CA2CA1CA4CA12CA3
SCHEMBL8793403 0.80 CA2 (0.67) CA2CA1CA4CA12CA3
SCHEMBL2348864 0.80 CA2 (0.73) CA2CA1CA4CA12CA3
SCHEMBL15604778 0.80 CA2 (0.73) CA2CA1CA4CA12CA3

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-0452151-B1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO INC (US) 1997-07-16 EP disclosed
US-5308863-A Carbonic anhydrase inhibitors MERCK & CO., INC. (US) 1994-05-03 US disclosed
EP-0452151-A1 Substituted aromatic sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1991-10-16 EP disclosed