SCHEMBL15729699

SCHEMBL15729699

CNC(=O)[C@@H]1C[C@H](OCCCCc2ccccc2)CN1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.54
F2 P00734 1/20 0.42
MMP2 P08253 1/20 0.39
FKBP1A P62942 4/20 0.39

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
SCHEMBL15729698 1.00 AGTR2 (0.54) AGTR2F2MMP2FKBP1A
SCHEMBL7857131 0.90 AGTR2 (0.53) AGTR2F2MMP2FKBP1A
SCHEMBL417955 0.89 AGTR2 (0.54) AGTR2F2FKBP1A
SCHEMBL20920329 0.89 AGTR2 (0.52) AGTR2F2MMP2FKBP1A
SCHEMBL417958 0.89 AGTR2 (0.54) AGTR2F2FKBP1A
SCHEMBL13627776 0.85 MMP9 (0.45) AGTR2MMP2
SCHEMBL15729696 0.80 MC4R (0.41) AGTR2F2
SCHEMBL7343432 0.80 AGTR2 (0.53) AGTR2
SCHEMBL7343429 0.80 AGTR2 (0.53) AGTR2
SCHEMBL6944388 0.75 POLB (0.49) AGTR2

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-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-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 AGTR2 4722/4885F2 3754/4885MMP2 3184/4885

“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.