SCHEMBL29617529

SCHEMBL29617529

CCCCNC(=O)c1cc(S(N)(=O)=O)ccc1NC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.70
CA12 O43570 10/20 0.70
CA1 P00915 10/20 0.70
CA3 P07451 10/20 0.70
CA6 P23280 10/20 0.70
CA5A P35218 10/20 0.70
CA7 P43166 10/20 0.70
CA9 Q16790 9/20 0.70
CA14 Q9ULX7 9/20 0.70
CA13 Q8N1Q1 8/20 0.70
CA4 P22748 5/20 0.70
CA5B Q9Y2D0 9/20 0.68
YAP1 P46937 1/20 0.64
TBXA2R P21731 3/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL18424225 0.82 CA12 (1.00) CA2CA12CA1CA3CA6
SCHEMBL18425835 0.81 CA1 (1.00) CA2CA12CA1CA3CA6
SCHEMBL18424558 0.81 CA1 (1.00) CA2CA12CA1CA3CA6
SCHEMBL29617532 0.80 CA2 (0.78) CA2CA12CA1CA3CA6
SCHEMBL7367027 0.80 TBXA2R (0.61) CA2CA12CA1CA3CA6
SCHEMBL6945457 0.78 TBXA2R (0.67) CA2CA12CA1CA3CA6
SCHEMBL7367863 0.77 TBXA2R (0.66) CA2CA12CA1CA3CA6
SCHEMBL6939916 0.77 TBXA2R (0.66) CA2CA12CA1CA3CA6
SCHEMBL7364175 0.75 CA12 (0.52) CA2CA12CA1CA3CA6
SCHEMBL20767111 0.74 YAP1 (0.58) CA2CA12CA1CA3CA6

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.