SCHEMBL328724

SCHEMBL328724

CNc1cccc(CCOc2ccc3c(c2)CN(C)C(=O)[C@H](CC(=O)O)C3)n1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.77
ITGAV P06756 17/20 0.77
ITGA2B P08514 6/20 0.77
ITGB6 P18564 1/20 0.55
ITGB1 P05556 6/20 0.53
ITGA5 P08648 5/20 0.53
ITGB5 P18084 4/20 0.53
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43

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
SCHEMBL14212733 0.89 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL12010936 0.89 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL6418885 0.89 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL6418879 0.89 ITGB3 (0.78) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL538331 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL5360850 0.87 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL244675 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL29571589 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL29899937 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL6418626 0.84 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB6ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-03-11 US disclosed
EP-1443963-B1 ANTIBODY TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2014-05-21 EP disclosed
US-20130171074-A1 TARGETING COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-07-04 US disclosed
EP-1446418-B1 INTEGRIN TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2012-05-23 EP disclosed
EP-2428226-A1 Antibody targeting compounds THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-14 EP disclosed
WO-2003034995-A2 INTEGRIN TARGETING COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 2003-05-01 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-20130171074-A1 TARGETING COMPOUNDS CD47, CD22, FCGR2A ITGB3 446/4885ITGAV 169/4885ITGA2B 244/4885
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 ITGB3 4/4885ITGAV 1/4885ITGA2B 7/4885

“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.