SCHEMBL4929959

SCHEMBL4929959

O=C(N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCO3)cc1)C(=O)O)c1ccccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.84
ITGA5 P08648 15/20 0.84
ITGB3 P05106 11/20 0.84
ITGAV P06756 11/20 0.84
ITGA4 P13612 4/20 0.48
ITGB7 P26010 4/20 0.48
ITGA2B P08514 1/20 0.46
ITGB5 P18084 1/20 0.46

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
SCHEMBL4194398 0.91 ITGB1 (0.77) ITGB1ITGA5ITGB3ITGAV
SCHEMBL14270751 0.90 ITGB3 (0.80) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL4930626 0.90 ITGB1 (0.75) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4929607 0.90 ITGB1 (0.75) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4920031 0.90 ITGB1 (0.75) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4245995 0.89 ITGB1 (0.67) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4929579 0.88 ITGB1 (0.90) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4066315 0.88 ITGB1 (0.90) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4201436 0.88 ITGB1 (0.87) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4066312 0.88 ITGB1 (0.65) ITGB1ITGA5ITGB3ITGAVITGA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US claimed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGB1 2/4885ITGA5 7/4885ITGB3 6/4885

“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.