SCHEMBL7937516

SCHEMBL7937516

CC(C)(CO)C(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.79
CA1 P00915 3/20 0.64
CA4 P22748 1/20 0.61

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
SCHEMBL7933469 0.92 CA2 (0.77) CA2CA1
SCHEMBL2522313 0.88 CA2 (1.00) CA2CA1
SCHEMBL10975370 0.86 CA2 (0.78) CA2CA1
SCHEMBL5174764 0.84 CA2 (0.91) CA2CA1CA4
SCHEMBL7924903 0.83 CA2 (0.64) CA2CA1
SCHEMBL7924838 0.82 CA2 (1.00) CA2CA1CA4
SCHEMBL11118371 0.81 CA2 (0.80) CA2CA1CA4
SCHEMBL10941689 0.81 CA2 (1.00) CA2CA1
SCHEMBL7924856 0.81 CA2 (0.82) CA2CA1CA4
SCHEMBL10973390 0.81 CA2 (0.86) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313155-B1 Composition and method for treating macular disorders BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2001-11-06 US claimed
EP-0070239-A1 Benzothiazolesulfonamide derivatives, their preparation and ophthalmic compositions containing said derivatives MERCK & CO. INC. (US) 1983-01-19 EP claimed
EP-0070239-B1 BENZOTHIAZOLESULFONAMIDE DERIVATIVES, THEIR PREPARATION AND OPHTHALMIC COMPOSITIONS CONTAINING SAID DERIVATIVES MERCK & CO. INC. (US) 1985-06-05 EP disclosed
US-4416890-A GLAUCOMA TREATMENT MERCK & CO., INC. (US) 1983-11-22 US disclosed
EP-0070239-A1 Benzothiazolesulfonamide derivatives, their preparation and ophthalmic compositions containing said derivatives MERCK & CO. INC. (US) 1983-01-19 EP disclosed