SCHEMBL9682085

SCHEMBL9682085

COC(C)OC(C)N(CCC1C(=O)Nc2cc(S(N)(=O)=O)sc2S1(=O)=O)C(C)OC

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.61
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.32

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
SCHEMBL7520641 0.84 CA2 (0.62) CA2CA1CA4
SCHEMBL9682117 0.83 CA2 (0.65) CA2CA1CA4
Hydrochloric Acid SCHEMBL9683925 0.82 CA2 (0.64) CA2CA1CA4
SCHEMBL7526891 0.76 CA2 (1.00) CA2
SCHEMBL9683840 0.71 CA2 (0.47) CA2CA1CA4
SCHEMBL9682131 0.70 CA2 (0.61) CA2CA1CA4
SCHEMBL9683786 0.70 CA2 (0.61) CA2CA1
SCHEMBL7520645 0.69 CA2 (1.00) CA2CA4
SCHEMBL9682638 0.68 CA2 (0.58) CA2CA1CA4
SCHEMBL9683134 0.66 CA2 (0.51) CA2CA1CA4

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-0479480-A2 Substituted thieno(2,3-B)(1,4)thiazine-6-sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1992-04-08 EP claimed
US-5093332-A SUBSTITUTED THIENO(2,3-B)(1,4)THIAZINE-6-SULFONAMIDES AS ANTIGLAUCOMA AGENTS MERCK & CO., INC. (US) 1992-03-03 US claimed
EP-0479480-A2 Substituted thieno(2,3-B)(1,4)thiazine-6-sulfonamides as antiglaucoma agents MERCK & CO. INC. (US) 1992-04-08 EP disclosed
US-5093332-A SUBSTITUTED THIENO(2,3-B)(1,4)THIAZINE-6-SULFONAMIDES AS ANTIGLAUCOMA AGENTS MERCK & CO., INC. (US) 1992-03-03 US disclosed