SCHEMBL464371

SCHEMBL464371

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(N)=O)[C@@H](C)OP(=O)(O)OCC[C@H](O)CO

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 14/20 0.60
▸ PLK3 Q9H4B4 4/20 0.56
▸ PLK2 Q9NYY3 4/20 0.56
▸ REN P00797 4/20 0.54

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
SCHEMBL17226103 0.95 PLK1 (0.55) PLK1PLK3PLK2REN
SCHEMBL464367 0.92 PLK1 (0.61) PLK1PLK3PLK2REN
SCHEMBL7835049 0.92 PLK1 (0.61) PLK1PLK3PLK2REN
SCHEMBL464336 0.92 PLK1 (0.61) PLK1PLK3PLK2REN
SCHEMBL464067 0.91 PLK1 (0.63) PLK1PLK3PLK2REN
SCHEMBL22930126 0.90 PLK1 (0.70) PLK1PLK3PLK2REN
SCHEMBL22930127 0.90 PLK1 (0.70) PLK1PLK3PLK2REN
SCHEMBL22930164 0.90 PLK1 (0.70) PLK1PLK3PLK2REN
SCHEMBL464377 0.90 PLK1 (0.70) PLK1PLK3PLK2REN
SCHEMBL464186 0.90 PLK1 (0.58) PLK1PLK3PLK2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175038-B2 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 SERVICES (US) 2015-11-03 — — US disclosed
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2012-03-15 — — US disclosed
WO-2010132869-A2 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-18 — — WO 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-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK2, PLK4 PLK1 1/4885PLK3 4/4885PLK2 2/4885

“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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