SCHEMBL15729472

SCHEMBL15729472

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[Y])C(C)C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 15/20 0.56
▸ PLK1 P53350 3/20 0.51
▸ CTSD P07339 1/20 0.48
▸ PLK3 Q9H4B4 2/20 0.48
▸ PLK2 Q9NYY3 2/20 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
SCHEMBL17226098 0.91 REN (0.61) RENPLK1CTSDPLK3PLK2
SCHEMBL7852891 0.88 REN (0.65) RENPLK1CTSDPLK3PLK2
SCHEMBL7849192 0.88 REN (0.65) RENPLK1CTSDPLK3PLK2
SCHEMBL7842935 0.88 REN (0.65) RENPLK1CTSDPLK3PLK2
SCHEMBL13470161 0.85 REN (0.56) RENPLK1CTSD
SCHEMBL464364 0.85 PLK1 (0.56) RENPLK1CTSDPLK3PLK2
SCHEMBL464377 0.84 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930126 0.84 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930127 0.84 PLK1 (0.70) RENPLK1PLK3PLK2
SCHEMBL22930164 0.84 PLK1 (0.70) RENPLK1PLK3PLK2

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-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE The United States of America, as represented by the Secretary, Department of Health & Human Servic (US) 2014-05-22 — — 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-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK4, PLK3 REN 4534/4885PLK1 1/4885CTSD 1655/4885

“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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