SCHEMBL9740319

SCHEMBL9740319

N[C@@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 1.00

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
SCHEMBL9740316 1.00 CA2 (1.00) CA2
SCHEMBL1123037 1.00 CA2 (1.00) CA2
Hydrochloric Acid SCHEMBL10512111 0.98 CA2 (1.00) CA2
SCHEMBL10514253 0.85 CA2 (0.74) CA2
SCHEMBL10513374 0.84 CA2 (1.00) CA2
SCHEMBL1804003 0.84 CA2 (1.00) CA2
SCHEMBL10795922 0.84 CA2 (1.00) CA2
SCHEMBL10512797 0.80 CA2 (0.69) CA2
SCHEMBL10800026 0.80 CA2 (0.67) CA2
Hydrochloric Acid SCHEMBL10514436 0.79 CA2 (0.76) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157129-A Carbonic anhydrase inhibitor, treatment of ocular hypertension and glaucoma MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0453288-A1 Enantiospecific synthesis of S(+)-5,6-dihydro-4-(R-amino)-4H thieno (2,3-B)thiopyran-2-sulfonamide-7,7-dioxide MERCK & CO. INC. (US) 1991-10-23 EP disclosed
EP-0453288-A1 Enantiospecific synthesis of S(+)-5,6-dihydro-4-(R-amino)-4H thieno (2,3-B)thiopyran-2-sulfonamide-7,7-dioxide MERCK & CO. INC. (US) 1991-10-23 EP disclosed