SCHEMBL7516581

SCHEMBL7516581

C=CCN1CC(NCC)c2cc(S(N)(=O)=O)sc2S1(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.70
CA1 P00915 3/20 0.68
CA12 O43570 2/20 0.68
CA4 P22748 2/20 0.68
CA6 P23280 2/20 0.68
CA5A P35218 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
CA13 Q8N1Q1 2/20 0.68
CA14 Q9ULX7 2/20 0.68
CA5B Q9Y2D0 2/20 0.68
LMNA P02545 2/20 0.68
CA3 P07451 1/20 0.57
AR P10275 1/20 0.57
TSHR P16473 1/20 0.57

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
Hydrochloric Acid SCHEMBL7510891 0.99 CA2 (0.69) CA2CA1CA12CA4CA6
Hydrochloric Acid SCHEMBL7512923 0.89 CA2 (0.76) CA2CA1CA12CA4CA6
SCHEMBL7507066 0.86 CA2 (0.81) CA2CA1CA12CA4CA6
SCHEMBL5081273 0.86 CA2 (0.81) CA2CA1CA12CA4CA6
Hydrochloric Acid SCHEMBL7508036 0.85 CA2 (0.79) CA2CA1CA12CA4CA6
SCHEMBL678201 0.84 CA2 (0.75) CA2CA1CA12CA4CA6
Hydrochloric Acid SCHEMBL9597371 0.84 CA2 (0.69) CA2CA1CA12CA4CA6
Hydrochloric Acid SCHEMBL9596906 0.84 CA2 (0.69) CA2CA1CA12CA4CA6
SCHEMBL8705943 0.84 CA2 (0.71) CA2CA1CA12CA4CA6
SCHEMBL9094182 0.84 CA2 (0.88) CA2CA1CA12CA4CA6

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
US-6313155-B1 Composition and method for treating macular disorders BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2001-11-06 US 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