SCHEMBL20622624

SCHEMBL20622624

NCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 18/20 0.75
CA1 P00915 17/20 0.75
CA2 P00918 17/20 0.75
CA12 O43570 8/20 0.75
CA14 Q9ULX7 4/20 0.75
CA7 P43166 2/20 0.75
USP2 O75604 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL13915130 0.93 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL17049667 0.92 CA9 (0.74) CA9CA1CA2CA12CA14
SCHEMBL21151146 0.92 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL21728989 0.92 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL14089616 0.91 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL12185092 0.91 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL12608907 0.91 CA9 (0.76) CA9CA1CA2CA12CA14
SCHEMBL14032096 0.91 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17793595 0.91 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL15828111 0.90 CA9 (0.83) CA9CA1CA2CA12CA14

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-10557128-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2020-02-11 US disclosed
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2019-01-03 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-10557128-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CA9 103/4885CA1 397/4885CA2 1844/4885
US-20190002861-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CA9 103/4885CA1 397/4885CA2 1844/4885

“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.