SCHEMBL3819749

SCHEMBL3819749

CC(=O)N1CC=C(c2ccc(C[C@H](NC(=O)c3c(C)cccc3Cl)C(=O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.59
ITGA4 P13612 19/20 0.59
ITGB7 P26010 13/20 0.59
ITGA2 P17301 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL28778262 1.00 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2L3MBTL1
SCHEMBL3820124 0.94 ITGA4 (0.55) ITGB1ITGA4ITGB7ITGA2
SCHEMBL4139238 0.91 ITGB1 (0.56) ITGB1ITGA4ITGB7ITGA2L3MBTL1
SCHEMBL3832342 0.87 ITGA4 (0.54) ITGB1ITGA4ITGB7ITGA2
SCHEMBL3829907 0.86 ALDH1A1 (0.55) ITGB1ITGA4ITGB7ITGA2L3MBTL1
SCHEMBL3835432 0.86 ITGB1 (0.52) ITGB1ITGA4ITGB7ITGA2
SCHEMBL4144035 0.85 ITGA4 (0.54) ITGB1ITGA4ITGB7ITGA2
SCHEMBL3834136 0.85 ITGA4 (0.52) ITGB1ITGA4ITGB7ITGA2
SCHEMBL3837327 0.85 ITGA4 (0.53) ITGB1ITGA4ITGB7ITGA2
SCHEMBL3831343 0.85 ITGB1 (0.51) ITGB1ITGA4ITGB7ITGA2

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
CN-101360711-A L-phenylalanine derivatives and its application as integrin antagonists ASTRAZENECA AB (SE) 2009-02-04 CN claimed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 WO claimed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
CN-101360711-A L-phenylalanine derivatives and its application as integrin antagonists ASTRAZENECA AB (SE) 2009-02-04 CN 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 2/4885ITGA4 23/4885ITGB7 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.