SCHEMBL13435694

SCHEMBL13435694

C=CCOC(=O)N(CC)[C@H]1CC(C)S(=O)(=O)c2sc(S(=O)(=O)/N=C/N(C)C)cc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.56
CA1 P00915 12/20 0.56
CA4 P22748 7/20 0.56
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
AR P10275 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL13435708 0.88 CA2 (0.60) CA2CA1CA4CA12CA3
SCHEMBL13435695 0.87 CA2 (0.72) CA2CA1CA4CA12CA3
SCHEMBL13435710 0.86 CA2 (0.78) CA2CA1CA4CA12CA3
SCHEMBL18656745 0.81 CA2 (0.57) CA2CA1CA4CA12CA3
SCHEMBL18656663 0.81 CA2 (0.57) CA2CA1CA4CA12CA3
SCHEMBL13435705 0.79 CA2 (0.58) CA2CA1CA4CA12CA3
SCHEMBL18656659 0.79 CA2 (0.59) CA2CA1CA4CA12CA3
SCHEMBL13435706 0.78 CA2 (0.78) CA2CA1CA4CA12CA3
SCHEMBL23643556 0.78 CA2 (0.53) CA2CA1CA4CA12CA3
SCHEMBL18656748 0.76 CA2 (0.58) CA2CA1CA4CA12CA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063035-A1 CARBONIC ANHYDRASE INHIBITORS DERIVATIVES NICOX S.A. (FR) 2010-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063035-A1 CARBONIC ANHYDRASE INHIBITORS DERIVATIVES CA4, CA2, CA9 CA2 2/4885CA1 71/4885CA4 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.