SCHEMBL4201183

SCHEMBL4201183

O=C(N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCC3)nc1)C(=O)O)c1sccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.63
ITGB3 P05106 12/20 0.63
ITGB1 P05556 7/20 0.63
ITGA5 P08648 7/20 0.63
ITGB6 P18564 11/20 0.52

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
SCHEMBL4207638 0.90 ITGAV (0.77) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4203222 0.90 ITGB1 (0.65) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4242258 0.87 ITGAV (0.82) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4196184 0.87 ITGAV (0.65) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4065068 0.87 ITGAV (0.69) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4205663 0.86 ITGB1 (0.65) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4246848 0.84 ITGAV (0.74) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4248480 0.84 ITGAV (0.61) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4207191 0.78 ITGAV (0.87) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4194296 0.78 ITGB1 (0.77) ITGAVITGB3ITGB1ITGA5

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
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
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 ITGAV 9/4885ITGB3 12/4885ITGB1 2/4885

“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.