SCHEMBL2231837

SCHEMBL2231837

CCc1c(NC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.49
ITGB6 P18564 15/20 0.49
ITGB3 P05106 6/20 0.49
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 0.49
ITGB5 P18084 1/20 0.49
ITGB8 P26012 1/20 0.49
ITGA2B P08514 3/20 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
SCHEMBL2231825 1.00 ITGAV (0.49) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2949681 0.93 ITGAV (0.43) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2949680 0.93 ITGAV (0.43) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2231847 0.89 ITGAV (0.49) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328030 0.88 ITGAV (0.64) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2232143 0.87 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2232146 0.87 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13237151 0.87 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL22631925 0.87 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21745032 0.87 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070914-B1 New antagonist derivatives of the vitronectin receptor, method for their preparation, their application as medicine and pharmaceutical compositions containing them GALAPAGOS SAS (FR) 2011-08-03 EP disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
EP-2070914-A1 New antagonist derivatives of the vitronectin receiver, method for preparing same, application of same as medicine and pharmaceutical compositions containing them Galapagos SAS (FR) 2009-06-17 EP disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP disclosed
US-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS NV (BE) 2006-03-09 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 (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-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ITGAV 206/4885ITGB6 271/4885ITGB3 244/4885
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ITGAV 206/4885ITGB6 271/4885ITGB3 244/4885

“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.