SCHEMBL12836739

SCHEMBL12836739

CCCCCCC(=O)NCCCCC(NC(=O)NC(C=O)CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.56
▸ NOD1 Q9Y239 2/20 0.55
▸ GLP1R P43220 8/20 0.52
▸ EPHX2 P34913 5/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL12836404 0.99 FOLH1 (0.57) FOLH1NOD1GLP1REPHX2
SCHEMBL12836738 0.95 FOLH1 (0.58) FOLH1NOD1GLP1R
SCHEMBL15003787 0.91 FOLH1 (0.67) FOLH1NOD1GLP1REPHX2
SCHEMBL21417883 0.91 FOLH1 (0.67) FOLH1NOD1GLP1REPHX2
SCHEMBL20018413 0.91 FOLH1 (0.67) FOLH1NOD1GLP1REPHX2
SCHEMBL20018407 0.91 FOLH1 (0.67) FOLH1NOD1GLP1REPHX2
SCHEMBL12836737 0.91 FOLH1 (0.67) FOLH1NOD1GLP1REPHX2
SCHEMBL22237179 0.91 FOLH1 (0.67) FOLH1NOD1GLP1REPHX2
SCHEMBL18030076 0.91 FOLH1 (0.67) FOLH1NOD1GLP1REPHX2
SCHEMBL18059393 0.90 FOLH1 (0.69) FOLH1NOD1GLP1REPHX2

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-20110064657-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), BIOLOGICAL EVALUATION, AND USE AS IMAGING AGENTS THE JOHNS HOPKINS UNIVERSITY (US) 2011-03-17 — — 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-20110064657-A1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), BIOLOGICAL EVALUATION, AND USE AS IMAGING AGENTS FOLH1, PHOSPHO1, KLK3 FOLH1 1/4885NOD1 4238/4885GLP1R 1710/4885

“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.

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