SCHEMBL2779271

SCHEMBL2779271

CCCNC(=O)[C@@H](N)CS

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.52
RRM1 P23921 1/20 0.47
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
PTGS1 P23219 1/20 0.43
SLC7A11 Q9UPY5 1/20 0.43
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 1/20 0.43
MMP2 P08253 2/20 0.42
S1PR2 O95136 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
TLR2 O60603 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL22767411 1.00 DPP7 (0.52) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL13470020 0.88 DPP7 (0.62) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL9491467 0.85 DPP7 (0.69) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL5654571 0.85 DPP7 (0.69) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL9491462 0.85 DPP7 (0.69) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL928798 0.83 PTGS1 (0.46) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL928972 0.83 PTGS1 (0.46) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL931596 0.83 PTGS1 (0.46) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL14099594 0.83
SCHEMBL31615214 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039872-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS 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 2016-02-11 US disclosed
WO-2014153101-A2 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS 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) 2014-09-25 WO 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-2010123216-A2 METHOD FOR USING CFH OR APOH AS A BIOCHEMICAL MARKER FOR DIAGNOSIS OF ACUTE MYELOID LEUKEMIA LEE SEUNG WON (KR) 2010-10-28 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 (2 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 DPP7 2844/4885RRM1 3242/4885GNAI3 2278/4885
US-20160039872-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PHKG1, ACP1 DPP7 1557/4885RRM1 3241/4885GNAI3 2636/4885

“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.