SCHEMBL3829591

SCHEMBL3829591

COc1cc(C#N)ccc1C(=O)N1CC=C(c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 19/20 0.49
ITGB1 P05556 18/20 0.49
ITGB7 P26010 15/20 0.49
ITGA5 P08648 1/20 0.42

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
SCHEMBL4208543 0.91 ITGB1 (0.43) ITGA4ITGB1ITGB7ITGA5
SCHEMBL3837141 0.90 ITGA4 (0.51) ITGA4ITGB1ITGB7ITGA5
SCHEMBL4160908 0.88 ITGA4 (0.53) ITGA4ITGB1ITGB7
SCHEMBL3829634 0.86 ITGB1 (0.49) ITGA4ITGB1ITGB7ITGA5
SCHEMBL3837072 0.86 ITGA4 (0.54) ITGA4ITGB1ITGB7ITGA5
SCHEMBL3831306 0.83 ITGA4 (0.49) ITGA4ITGB1ITGB7
SCHEMBL3838677 0.83 NAMPT (0.52) ITGA4ITGB1ITGB7ITGA5
SCHEMBL3823097 0.83 ITGB1 (0.49) ITGA4ITGB1ITGB7ITGA5
SCHEMBL3835571 0.82 ITGA4 (0.52) ITGA4ITGB1ITGB7
SCHEMBL3831806 0.81 ITGA4 (0.49) ITGA4ITGB1ITGB7ITGA5

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
EP-2091916-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS AstraZeneca AB (SE) 2009-08-26 EP claimed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US claimed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 WO claimed
EP-2091916-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS AstraZeneca AB (SE) 2009-08-26 EP disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 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-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B ITGA4 23/4885ITGB1 2/4885ITGB7 17/4885

“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.