SCHEMBL3836591

SCHEMBL3836591

O=C(N[C@@H](Cc1ccc(C2=CCN(C(=O)c3nc4ccccc4[nH]3)CC2)cc1)C(=O)O)c1cccc(F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
PIN1 Q13526 1/20 0.40
ITGA4 P13612 1/20 0.40
ALB P02768 3/20 0.38
IL2 P60568 3/20 0.38
ITGAV P06756 1/20 0.38
ITGB6 P18564 1/20 0.38
ERAP1 Q9NZ08 2/20 0.38

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
SCHEMBL3835224 0.88 ITGB1 (0.53) ITGB1ITGA5ITGA4ITGAV
SCHEMBL3834913 0.85 PIN1 (0.42) ITGB1ITGA5PIN1ITGA4
SCHEMBL3831720 0.84 ITGB1 (0.48) ITGB1ITGA5ITGA4
SCHEMBL3821331 0.83 ALDH1A1 (0.55) ITGB1ITGA5ITGA4
SCHEMBL3823375 0.82 ITGA4 (0.45) ITGB1ITGA4
SCHEMBL3833335 0.79 PIN1 (0.42) ITGB1ITGA5PIN1ITGAV
SCHEMBL4221351 0.79 ITGB1 (0.45) ITGB1ITGA5PIN1ITGA4ITGAV
SCHEMBL3831697 0.78 ITGA4 (0.54) ITGB1ITGA5ITGA4
SCHEMBL3832853 0.77 MAPK1 (0.46) ITGB1ITGA4ERAP1
SCHEMBL3835571 0.74 ITGA4 (0.52) ITGB1ITGA4

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 ITGB1 2/4885ITGA5 10/4885PIN1 3139/4885

“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.