SCHEMBL243035

SCHEMBL243035

O=C(N[C@@H](CNC(=O)N1CCN(C(=O)CCCNC2=NCCN2)CC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 18/20 0.61
ITGA2B P08514 7/20 0.57
ITGB5 P18084 1/20 0.47

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
SCHEMBL5755977 0.89 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5
SCHEMBL13059982 0.85 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL13344587 0.84 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5
SCHEMBL13344616 0.83 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5
SCHEMBL13231063 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL13344598 0.78 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL29262108 0.77 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5
SCHEMBL13344627 0.77 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB5
SCHEMBL13369222 0.76 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL13344620 0.76 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB5

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-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY GENESTE HERVE (DE) 2012-01-05 US disclosed
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy BASF AKTIENGESELLSCHAFT (DE) 2009-12-17 US disclosed
EP-1239877-B1 COMPOSITION COMPRISING A TNF-ALPHA INHIBITOR AND AN INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONIST ABBOTT GMBH & CO KG (DE) 2008-01-09 EP disclosed
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy GENESTE HERVE 2006-07-20 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 (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-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy ITGB3, IL6ST, IL1RN ITGB3 1/4885ITGAV 11/4885ITGA2B 10/4885
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 ITGB3 3/4885ITGAV 4/4885ITGA2B 12/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGA2B 9/4885

“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.