SCHEMBL29617532

SCHEMBL29617532

CCCCNC(=O)c1cc(S(N)(=O)=O)ccc1SC1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 20/20 0.78
CA12 O43570 16/20 0.70
CA1 P00915 16/20 0.70
CA6 P23280 16/20 0.70
CA5A P35218 16/20 0.70
CA7 P43166 16/20 0.70
CA9 Q16790 16/20 0.70
CA14 Q9ULX7 16/20 0.70
CA5B Q9Y2D0 15/20 0.70
CA4 P22748 15/20 0.70
CA13 Q8N1Q1 14/20 0.70
CA3 P07451 13/20 0.70

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
SCHEMBL18424441 0.82 CA12 (1.00) CA2CA12CA1CA6CA5A
SCHEMBL18425695 0.82 CA12 (1.00) CA2CA12CA1CA6CA5A
SCHEMBL29617529 0.80 CA2 (0.70) CA2CA12CA1CA6CA5A
SCHEMBL18425229 0.72 CA12 (1.00) CA2CA12CA1CA6CA5A
SCHEMBL18425522 0.71 CA12 (1.00) CA2CA12CA1CA6CA5A
SCHEMBL18425491 0.71 CA12 (1.00) CA2CA12CA1CA6CA5A
SCHEMBL18424685 0.70 CA12 (1.00) CA2CA12CA1CA6CA5A
SCHEMBL24495177 0.70 CA2 (0.67) CA2CA12CA1CA6CA5A
SCHEMBL29831856 0.70 CA2 (0.67) CA2CA12CA1CA6CA5A
SCHEMBL18425010 0.69 CA12 (1.00) CA2CA12CA1CA6CA5A

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-11312682-B2 Selective inhibitors of carbonic anhydrase VILNIUS UNIVERSITY (LT) 2022-04-26 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-11312682-B2 Selective inhibitors of carbonic anhydrase CA2, CA9, CA7 CA2 1/4885CA12 8/4885CA1 6/4885

“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.