SCHEMBL20074598

SCHEMBL20074598

CCCCCCCCC(CCCCCCC)S(N)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.50
CA1 P00915 10/20 0.50
CA9 Q16790 8/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TP53 P04637 1/20 0.48
OPRM1 P35372 1/20 0.42
LAP3 P28838 1/20 0.42

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
SCHEMBL20542290 1.00 CA2 (0.50) CA2CA1CA9CA12CA7
SCHEMBL24665746 1.00 CA2 (0.50) CA2CA1CA9CA12CA7
SCHEMBL7109060 1.00 CA2 (0.50) CA2CA1CA9CA12CA7
Bromide SCHEMBL5769748 0.98 CA2 (0.48) CA2CA1CA9CA12CA7
SCHEMBL276173 0.96 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL28480577 0.93 TP53 (0.47) CA2CA1CA9CA12CA7
SCHEMBL28486619 0.91 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL19028602 0.91 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL1487360 0.91 CA2 (0.47) CA2CA1CA9CA12CA7
Hydrochloric Acid SCHEMBL28210759 0.89 CA2 (0.46) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-02-02 US disclosed
US-20180104198-A1 Pharmaceutical Composition, Methods for Treating and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-19 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 (2 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-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 ENPP1, ENPP3, ENPP2 CA2 3260/4885CA1 4479/4885CA9 4398/4885
US-20180104198-A1 Pharmaceutical Composition, Methods for Treating and Uses Thereof SLC5A1, SLC5A2, SLC2A1 CA2 2829/4885CA1 4580/4885CA9 1949/4885

“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.