SCHEMBL6729630

SCHEMBL6729630

CCOC(=O)[C@@H](N)Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.59
ITGB3 P05106 16/20 0.59
ITGB6 P18564 8/20 0.59
ITGB5 P18084 6/20 0.59
ITGA2B P08514 1/20 0.59
ITGB1 P05556 3/20 0.53
ITGA5 P08648 2/20 0.53
ITGB8 P26012 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL6224024 0.89 ITGAV (0.65) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4200668 0.87 ITGB3 (0.65) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4786884 0.84 ITGB3 (0.71) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL29813665 0.83 ITGAV (0.58) ITGAVITGB3ITGB6ITGB8
SCHEMBL20025016 0.83 ITGAV (0.58) ITGAVITGB3ITGB6ITGB8
Hydrochloric Acid SCHEMBL29813699 0.82 ITGAV (0.58) ITGAVITGB3ITGB6ITGB8
SCHEMBL4245742 0.82 ITGB1 (0.58) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6285176 0.80 ITGAV (0.53) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6289069 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4197149 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR AVENTIS PHARMA S.A. (FR) 2004-11-11 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-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR ADGRF1, BDKRB1, ADGRE5 ITGAV 296/4885ITGB3 220/4885ITGB6 246/4885

“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.