SCHEMBL418783

SCHEMBL418783

COC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CO

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.58
CTSL P07711 4/20 0.56
CTSS P25774 4/20 0.56
CTSB P07858 3/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
CTSK P43235 4/20 0.52
KYNU Q16719 1/20 0.51
ELANE P08246 1/20 0.50

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
SCHEMBL26047978 1.00 TRPM8 (0.58) TRPM8CTSLCTSSCTSBCYP3A4
SCHEMBL6989002 0.90 CTSL (0.57) TRPM8CTSLCTSSCTSBCYP3A4
SCHEMBL8662503 0.89 CTSB (0.70) TRPM8CTSLCTSSCTSBCYP3A4
SCHEMBL16270356 0.89 MEN1 (0.57) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL26047826 0.88 TRPM8 (0.57) TRPM8CTSLCTSSCTSBCYP3A4
SCHEMBL28892051 0.87 TRPM8 (0.62) TRPM8CTSLCTSSCTSBMEN1
SCHEMBL10535601 0.87 TRPM8 (0.62) TRPM8CTSLCTSSCTSBMEN1
SCHEMBL10535596 0.87 TRPM8 (0.62) TRPM8CTSLCTSSCTSBMEN1
SCHEMBL6484040 0.87 SYK (0.56) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL9782142 0.86 CTSL (0.68) TRPM8CTSLCTSSCTSBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266565-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) 2019-04-23 US disclosed
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-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-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
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
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
WO-2012142245-A2 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE GOVERNMENT OF THE UNITED OF AMERIA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2012-10-18 WO 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
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 (3 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 TRPM8 4408/4885CTSL 1007/4885CTSS 2308/4885
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK2, PLK4 TRPM8 4082/4885CTSL 1260/4885CTSS 2734/4885
US-10266565-B2 Peptide mimetic ligands of polo-like kinase 1 polo box domain and methods of use PLK1, POLK, POLD3 TRPM8 4299/4885CTSL 2118/4885CTSS 3687/4885

“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.