SCHEMBL4929434

SCHEMBL4929434

CCc1ccc(F)cc1C(=O)N[C@@H](Cc1ccc(OCCc2ccc3c(n2)NCCO3)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.68
ITGA5 P08648 18/20 0.68
ITGB3 P05106 18/20 0.68
ITGAV P06756 17/20 0.68
ITGA2B P08514 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
SCHEMBL4924731 0.94 ITGB3 (0.68) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL4920031 0.91 ITGB1 (0.75) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4930626 0.89 ITGB1 (0.75) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4068658 0.89 ITGB1 (0.57) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL4929607 0.83 ITGB1 (0.75) ITGB1ITGA5ITGB3ITGAV
SCHEMBL14270751 0.83 ITGB3 (0.80) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL4193779 0.83 ITGB1 (0.70) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL4929959 0.83 ITGB1 (0.84) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL4927554 0.83 ITGB1 (0.77) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL4068793 0.83 ITGB1 (0.65) ITGB1ITGA5ITGB3ITGAVITGA2B

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 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.