SCHEMBL3835224

SCHEMBL3835224

O=C(N[C@@H](Cc1ccc(C2=CCN(C(=O)c3nc4ccccc4[nH]3)CC2)cc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.53
ITGA5 P08648 2/20 0.53
ITGA4 P13612 17/20 0.49
ITGB7 P26010 16/20 0.49
ITGAV P06756 1/20 0.43

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
SCHEMBL3831720 0.95 ITGB1 (0.48) ITGB1ITGA5ITGA4ITGB7
SCHEMBL4221351 0.90 ITGB1 (0.45) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL3836591 0.88 ITGB1 (0.40) ITGB1ITGA5ITGA4ITGAV
SCHEMBL3834913 0.86 PIN1 (0.42) ITGB1ITGA5ITGA4ITGB7
SCHEMBL3830610 0.84 ITGA4 (0.51) ITGB1ITGA5ITGA4ITGB7
SCHEMBL3835482 0.84 ITGA4 (0.46) ITGB1ITGA5ITGA4ITGB7
SCHEMBL3835571 0.84 ITGA4 (0.52) ITGB1ITGA4ITGB7
SCHEMBL3836224 0.83 ITGB1 (0.54) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL3831808 0.82 CAPN1 (0.48) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL4148780 0.82 ALDH1A1 (0.60) ITGB1ITGA5ITGA4ITGB7ITGAV

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
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US 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 ITGB1 2/4885ITGA5 10/4885ITGA4 23/4885

“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.