SCHEMBL2231789

SCHEMBL2231789

CCc1c(NC[C@H](NS(=O)(=O)c2ccc(OC)cc2)C(=O)O)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.77
ITGAV P06756 11/20 0.77
ITGB5 P18084 2/20 0.77
ITGB6 P18564 2/20 0.77
ITGB8 P26012 2/20 0.77
ITGB1 P05556 1/20 0.77
ITGA5 P08648 1/20 0.77
ITGA2B P08514 4/20 0.40
MMP13 P45452 7/20 0.36
MMP2 P08253 6/20 0.36
MMP1 P03956 5/20 0.36
MMP3 P08254 5/20 0.36
MMP7 P09237 5/20 0.36
MMP9 P14780 4/20 0.36
MMP8 P22894 4/20 0.36

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
SCHEMBL2231781 1.00 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL13237253 0.92 ITGAV (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL13237248 0.92 ITGAV (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL13237283 0.92 ITGAV (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL2952281 0.92 ITGAV (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL2952278 0.92 ITGAV (0.66) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL13237288 0.91 ITGAV (0.64) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL13237245 0.91 ITGAV (0.64) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL13237287 0.91 ITGAV (0.64) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL2450787 0.89 ITGAV (0.60) ITGB3ITGAVITGB5ITGB6ITGB8

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 11 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-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
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 ITGB3 244/4885ITGAV 206/4885ITGB5 111/4885
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ITGB3 244/4885ITGAV 206/4885ITGB5 111/4885

“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.