SCHEMBL7518797

SCHEMBL7518797

CCCN[C@H]1CN(CCCOC(C)OC)Sc2sc(S(N)(=O)=O)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.45
CA4 P22748 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA13 Q8N1Q1 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
LMNA P02545 1/20 0.45
CA3 P07451 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL7513189 1.00 CA2 (0.45) CA2CA4CA12CA1CA6
SCHEMBL7509356 0.95 CA2 (0.43) CA2CA4CA12CA1CA6
SCHEMBL7516790 0.95 CA2 (0.43) CA2CA4CA12CA1CA6
SCHEMBL7514819 0.93 CA2 (0.52) CA2CA4CA12CA1CA6
SCHEMBL7507804 0.93 CA2 (0.52) CA2CA4CA12CA1CA6
SCHEMBL7516535 0.90 CA2 (0.55) CA2CA4CA12CA1CA6
SCHEMBL7510317 0.90 CA2 (0.55) CA2CA4CA12CA1CA6
SCHEMBL7513195 0.87 CA2 (0.50) CA2CA4CA12CA1CA6
SCHEMBL7518805 0.87 CA2 (0.50) CA2CA4CA12CA1CA6
SCHEMBL7506040 0.87 CA2 (0.49) CA2CA4CA12CA1CA6

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-0527801-B1 THIOPHENE SULFONAMIDES USEFUL AS CARBONIC ANHYDRASE INHIBITORS ALCON LAB INC (US) 2002-07-31 EP claimed
EP-0527801-A4 THIOPHENE SULFONAMIDES USEFUL AS CARBONIC ANYDRASE INHIBITORS 1993-03-10 EP claimed
EP-0527801-A1 THIOPHENE SULFONAMIDES USEFUL AS CARBONIC ANYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1993-02-24 EP claimed
WO-1991015486-A1 THIOPHENE SULFONAMIDES USEFUL AS CARBONIC ANYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1991-10-17 WO claimed