SCHEMBL3832853

SCHEMBL3832853

O=C(N[C@@H](Cc1ccc(C2=CCN(Cc3ccc(F)cc3)CC2)cc1)C(=O)O)c1cccc(F)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ITGA4 P13612 7/20 0.45
ITGB1 P05556 5/20 0.45
ITGB7 P26010 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 4/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 1/20 0.42
NAMPT P43490 1/20 0.41
ERAP1 Q9NZ08 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
SCHEMBL4142883 0.87 ITGA4 (0.55) MAPK1ITGA4ITGB1ITGB7
SCHEMBL3823375 0.85 ITGA4 (0.45) ITGA4ITGB1ITGB7
SCHEMBL3835309 0.84 L3MBTL1 (0.53) MAPK1ITGA4ITGB1ITGB7NPSR1
SCHEMBL3834520 0.83 ITGB1 (0.55) ITGA4ITGB1ITGB7
SCHEMBL13851485 0.83 ITGA4 (0.53) ITGA4ITGB1ITGB7
SCHEMBL3818080 0.81 MMP2 (0.42) ITGA4ITGB1ITGB7
SCHEMBL4159347 0.80 ITGA4 (0.52) ITGA4ITGB1ITGB7
SCHEMBL3831956 0.80 ITGA4 (0.50) ITGA4ITGB1ITGB7
SCHEMBL3837273 0.80 ITGA4 (0.54) ITGA4ITGB1ITGB7
SCHEMBL3835951 0.80 ITGA4 (0.52) 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 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 MAPK1 2101/4885ITGA4 23/4885ITGB1 2/4885

“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.