SCHEMBL4741845

SCHEMBL4741845

CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3CC3)C(=O)O)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.78
ITGA5 P08648 19/20 0.78
ITGB3 P05106 18/20 0.78
ITGAV P06756 18/20 0.78

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
SCHEMBL4739825 0.96 ITGB1 (0.81) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4742881 0.96 ITGB1 (0.79) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4739810 0.95 ITGB1 (0.80) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4743168 0.95 ITGB1 (0.80) ITGB1ITGA5ITGB3ITGAV
SCHEMBL13908271 0.88 ITGB3 (0.82) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4740400 0.88 ITGB1 (1.00) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4743165 0.88 ITGB3 (0.78) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4739027 0.86 ITGB1 (0.72) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4742898 0.86 ITGB3 (0.78) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4743164 0.85 ITGB3 (0.79) ITGB1ITGA5ITGB3ITGAV

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
WO-2008093064-A1 L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO claimed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 US claimed
WO-2008093064-A1 L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
US-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ASTRAZENECA AB (SE) 2008-07-31 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-20080182842-A1 L-alanine derivatives as a5beta1 antagonists ITGB1, ITGA2B, ITGB5 ITGB1 1/4885ITGA5 8/4885ITGB3 10/4885

“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.