SCHEMBL4750628

SCHEMBL4750628

CCN[C@H]1CN(CCCO)S(=O)(=O)c2sc(S(N)(=O)=O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 1.00
CA1 P00915 3/20 0.79
CA4 P22748 3/20 0.79
CA12 O43570 2/20 0.79
CA6 P23280 2/20 0.79
CA5A P35218 2/20 0.79
CA7 P43166 2/20 0.79
CA9 Q16790 2/20 0.79
CA13 Q8N1Q1 2/20 0.79
CA14 Q9ULX7 2/20 0.79
CA5B Q9Y2D0 2/20 0.79
LMNA P02545 2/20 0.79
CA3 P07451 1/20 0.56
AR P10275 1/20 0.56
TSHR P16473 1/20 0.56

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 SCHEMBL9596408 0.99 CA2 (0.98) CA2CA1CA4CA12CA6
SCHEMBL8709370 0.96 CA2 (0.92) CA2CA1CA4CA12CA6
Hydrochloric Acid SCHEMBL9260358 0.96 CA2 (0.92) CA2CA1CA4CA12CA6
Hydrochloric Acid SCHEMBL8870846 0.96 CA2 (0.92) CA2CA1CA4CA12CA6
Hydrochloric Acid SCHEMBL8712213 0.95 CA2 (0.91) CA2CA1CA4CA12CA6
Hydrochloric Acid SCHEMBL9259361 0.95 CA2 (0.91) CA2CA1CA4CA12CA6
SCHEMBL9094182 0.94 CA2 (0.88) CA2CA1CA4CA12CA6
Hydrochloric Acid SCHEMBL9597720 0.93 CA2 (0.86) CA2CA1CA4CA12CA6
SCHEMBL9095533 0.92 CA2 (0.85) CA2CA1CA4CA12CA6
Hydrochloric Acid SCHEMBL8871383 0.91 CA2 (0.84) CA2CA1CA4CA12CA6

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
WO-2025054461-A1 ESTER DERIVATIVES OF BINDERS TARGETING CA-IV CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-03-13 WO disclosed
WO-2008120099-A1 THIENO [3, 2-E] [1, 2] THIAZINE DERIVATIVE AS INHIBITOR OF CARBONIC ANHYDRASE PFIZER INC. (US) 2008-10-09 WO disclosed
WO-2008120099-A1 THIENO [3, 2-E] [1, 2] THIAZINE DERIVATIVE AS INHIBITOR OF CARBONIC ANHYDRASE PFIZER INC. (US) 2008-10-09 WO disclosed
US-5585377-A CONTROLLING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1996-12-17 US disclosed