SCHEMBL14270751

SCHEMBL14270751

O=C(N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCO3)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.80
ITGAV P06756 13/20 0.80
ITGB1 P05556 12/20 0.80
ITGA5 P08648 12/20 0.80
ITGA2B P08514 3/20 0.52
ITGB6 P18564 2/20 0.49
ITGB5 P18084 1/20 0.49
PPARG P37231 1/20 0.46
GPR132 Q9UNW8 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
SCHEMBL4929959 0.90 ITGB1 (0.84) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL4931046 0.89 ITGB1 (0.83) ITGB3ITGAVITGB1ITGA5
SCHEMBL14270764 0.88 ITGAV (0.62) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL4927554 0.86 ITGB1 (0.77) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL4201436 0.86 ITGB1 (0.87) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL14270778 0.86 ITGAV (0.79) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL4929579 0.85 ITGB1 (0.90) ITGB3ITGAVITGB1ITGA5
SCHEMBL4066315 0.85 ITGB1 (0.90) ITGB3ITGAVITGB1ITGA5
SCHEMBL4194398 0.85 ITGB1 (0.77) ITGB3ITGAVITGB1ITGA5
SCHEMBL4194296 0.85 ITGB1 (0.77) ITGB3ITGAVITGB1ITGA5ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ITGB3 6/4885ITGAV 17/4885ITGB1 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.