SCHEMBL2946322

SCHEMBL2946322

CCc1c(NC[C@@H](N=S(=O)=O)C(=O)OC(C)(C)C)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 10/20 0.44
ITGB6 P18564 10/20 0.44
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB8 P26012 1/20 0.44

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
SCHEMBL2232924 0.91 ITGAV (0.48) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL13237178 0.89 ITGAV (0.47) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL275631 0.89 ITGAV (0.47) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL8350656 0.89 ITGAV (0.47) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL278507 0.86 ITGAV (0.48) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328045 0.85 ITGAV (0.48) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL276367 0.85 ITGAV (0.48) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL277354 0.84 ITGAV (0.51) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL5584240 0.84 ITGAV (0.47) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL2949045 0.84 ITGAV (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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.