SCHEMBL4205663

SCHEMBL4205663

O=C(N[C@@H](Cc1ccc(CCCc2ccc3c(n2)NCCC3)cn1)C(=O)O)c1sccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.65
ITGA5 P08648 6/20 0.65
ITGAV P06756 18/20 0.55
ITGB3 P05106 11/20 0.55
ITGB6 P18564 7/20 0.54
ITGA4 P13612 1/20 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
SCHEMBL4203222 0.95 ITGB1 (0.65) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4196184 0.87 ITGAV (0.65) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4248072 0.87 ITGB1 (0.85) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4241213 0.86 ITGB1 (0.71) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4201183 0.86 ITGAV (0.63) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4207638 0.85 ITGAV (0.77) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4249783 0.84 ITGB1 (0.76) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4241420 0.84 ITGB1 (0.63) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4249629 0.81 ITGB1 (0.86) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4070590 0.81 ITGB1 (0.72) ITGB1ITGA5ITGAVITGB3ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US claimed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO claimed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO 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-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL ITGB1 2/4885ITGA5 11/4885ITGAV 9/4885

“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.