SCHEMBL13237231

SCHEMBL13237231

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 17/20 0.55
ITGB3 P05106 11/20 0.55
ITGB6 P18564 7/20 0.55
ITGB1 P05556 3/20 0.55
ITGA5 P08648 3/20 0.55
ITGB5 P18084 1/20 0.55
ITGB8 P26012 1/20 0.55
ITGA2B P08514 6/20 0.36
KIT P10721 1/20 0.30

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
SCHEMBL13237288 0.93 ITGAV (0.64) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL2952281 0.91 ITGAV (0.66) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL2952278 0.91 ITGAV (0.66) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237209 0.91 ITGAV (0.57) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237214 0.91 ITGAV (0.57) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237215 0.90 ITGAV (0.58) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237226 0.90 ITGAV (0.56) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237208 0.88 ITGB3 (0.55) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL277354 0.86 ITGAV (0.51) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237222 0.86 ITGAV (0.51) ITGAVITGB3ITGB6ITGB1ITGA5

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ITGAV 206/4885ITGB3 244/4885ITGB6 271/4885

“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.