SCHEMBL13237226

SCHEMBL13237226

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 15/20 0.56
ITGB3 P05106 13/20 0.56
ITGA5 P08648 5/20 0.56
ITGB6 P18564 5/20 0.56
ITGB1 P05556 4/20 0.56
ITGB5 P18084 2/20 0.56
ITGB8 P26012 2/20 0.56
ITGA2B P08514 7/20 0.36
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
CXCR4 P61073 1/20 0.32
AKT1S1 Q96B36 1/20 0.32

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
SCHEMBL13237209 0.94 ITGAV (0.57) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL13237214 0.93 ITGAV (0.57) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL13237215 0.92 ITGAV (0.58) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL2952278 0.92 ITGAV (0.66) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL2952281 0.92 ITGAV (0.66) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL13237287 0.92 ITGAV (0.64) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL13237208 0.90 ITGB3 (0.55) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL13237231 0.90 ITGAV (0.55) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL277354 0.88 ITGAV (0.51) ITGAVITGB3ITGA5ITGB6ITGB1
SCHEMBL2957910 0.87 ITGAV (0.50) ITGAVITGB3ITGA5ITGB6ITGB1

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 244/4885ITGA5 74/4885

“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.