SCHEMBL3823375

SCHEMBL3823375

CC(=O)N1CC=C(c2ccc(C[C@H](NC(=O)c3cccc(F)c3Cl)C(=O)O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 16/20 0.45
ITGB1 P05556 14/20 0.44
ITGB7 P26010 8/20 0.44
NPC1 O15118 1/20 0.41
CCR1 P32246 1/20 0.41
QDPR P09417 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL27752767 0.86 ECE1 (0.42) ITGA4ITGB1ITGB7NPC1CCR1
SCHEMBL3831110 0.86 ECE1 (0.42) ITGA4ITGB1ITGB7NPC1CCR1
SCHEMBL3821331 0.85 ALDH1A1 (0.55) ITGA4ITGB1ITGB7PARP1
SCHEMBL3832853 0.85 MAPK1 (0.46) ITGA4ITGB1ITGB7
SCHEMBL3820124 0.84 ITGA4 (0.55) ITGA4ITGB1ITGB7
SCHEMBL3818080 0.83 MMP2 (0.42) ITGA4ITGB1ITGB7
SCHEMBL3836591 0.82 ITGB1 (0.40) ITGA4ITGB1
SCHEMBL3819749 0.81 ITGB1 (0.59) ITGA4ITGB1ITGB7
SCHEMBL28778262 0.81 ITGB1 (0.59) ITGA4ITGB1ITGB7
SCHEMBL3831697 0.81 ITGA4 (0.54) ITGA4ITGB1ITGB7

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.