SCHEMBL3836550

SCHEMBL3836550

O=C(N[C@@H](Cc1ccc(C2=CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
ITGB2 P05107 2/20 0.52
ICAM1 P05362 2/20 0.52
ITGAL P20701 2/20 0.52
ITGA4 P13612 14/20 0.47
ITGB1 P05556 12/20 0.47
ITGB7 P26010 11/20 0.47
ITGA5 P08648 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIN1 Q13526 1/20 0.44

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
SCHEMBL3830610 0.86 ITGA4 (0.51) ITGA4ITGB1ITGB7ITGA5
SCHEMBL3832595 0.85 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL3835571 0.85 ITGA4 (0.52) ITGA4ITGB1ITGB7
SCHEMBL4144035 0.84 ITGA4 (0.54) ITGA4ITGB1ITGB7ITGA5
SCHEMBL3832590 0.83 ITGA4 (0.51) ITGA4ITGB1ITGB7MEN1KMT2A
SCHEMBL3833907 0.83 ITGB1 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL8243076 0.83 ITGB1 (0.49) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL3831808 0.82 CAPN1 (0.48) ITGA4ITGB1ITGB7ITGA5
SCHEMBL3820124 0.82 ITGA4 (0.55) ITGA4ITGB1ITGB7
SCHEMBL3832342 0.82 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 MAPT 2795/4885ITGB2 8/4885ICAM1 29/4885

“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.