SCHEMBL14356381

SCHEMBL14356381

NCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 14/20 1.00
ITGA2B P08514 11/20 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
SCHEMBL13170290 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14356368 0.93 ITGB3 (0.89) ITGB3ITGAVITGA2B
SCHEMBL14387907 0.93 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL2419825 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL23718779 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL14387730 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL14387909 0.91 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14387729 0.91 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14356372 0.91 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL14356377 0.90 ITGB3 (0.84) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9833520-B2 Labeled, non-peptidic, multivalent integrin antagonist compounds; methods for synthesis and uses thereof THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2017-12-05 US disclosed
US-20140044646-A1 Labeled, Non-Peptidic, Multivalent Integrin Antagonist Compounds; Methods for Synthesis and Uses Thereof THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2014-02-13 US disclosed
US-7300940-B2 Integrin α-v β-3 antagonists for use in imaging and therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-11-27 US disclosed
US-7300940-B2 Integrin α-v β-3 antagonists for use in imaging and therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-11-27 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-20140044646-A1 Labeled, Non-Peptidic, Multivalent Integrin Antagonist Compounds; Methods for Synthesis and Uses Thereof ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGA2B 11/4885

“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.