SCHEMBL336839

SCHEMBL336839

CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(CCNC(=O)CCCCCN)C(=O)[C@H](CC(=O)O)N2

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.73
ITGAV P06756 20/20 0.73
ITGA2B P08514 1/20 0.70

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
SCHEMBL344876 0.94 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL5972809 0.92 ITGB3 (0.81) ITGB3ITGAVITGA2B
SCHEMBL8738816 0.87 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL336864 0.87 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL5972534 0.86 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL336429 0.85 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL7074204 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7072095 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL337320 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL8467709 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443963-B1 ANTIBODY TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2014-05-21 EP disclosed
US-8252902-B2 Complexing antigen, antibodies; immunoassay THE SCRIPPS RESEARCH INSTITUTE (US) 2012-08-28 US disclosed
EP-2428226-A1 Antibody targeting compounds THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-14 EP disclosed
US-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION KYOTO UNIVERSITY (JP) 2011-05-19 US disclosed
US-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION KYOTO UNIVERSITY (JP) 2011-05-19 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-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION EPCAM, HDGF, DSC1 ITGB3 70/4885ITGAV 142/4885ITGA2B 80/4885

“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.