SCHEMBL6289039

SCHEMBL6289039

CCOC(=O)[C@H](Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)Nc1nnnn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.52
ITGB3 P05106 18/20 0.52
ITGB1 P05556 2/20 0.52
ITGA5 P08648 2/20 0.52
ITGB6 P18564 6/20 0.51
ITGB5 P18084 3/20 0.51
ITGA2B P08514 2/20 0.51

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
SCHEMBL6221518 0.93 ITGAV (0.58) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6285176 0.80 ITGAV (0.53) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6289069 0.80 ITGAV (0.51) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6729630 0.78 ITGAV (0.59) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20025245 0.76 ITGAV (0.64) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953598 0.74 ITGAV (0.73) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL19953599 0.74 ITGAV (0.73) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6221639 0.74 LTA4H (0.47) ITGB3ITGA2B
SCHEMBL20025156 0.73 ITGAV (0.69) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL6224024 0.73 ITGAV (0.65) ITGAVITGB3ITGB1ITGA5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838453-B2 Antagonist derivatives of the vitronectin receptor AVENTIS PHARMA S.A. (FR) 2005-01-04 US disclosed
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 220/4885ITGB1 64/4885

“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.