SCHEMBL4928545

SCHEMBL4928545

COC(=O)[C@H](Cc1ccc(OCCCNc2cc(C)ccn2)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.66
ITGA5 P08648 19/20 0.66
ITGB3 P05106 5/20 0.66
ITGAV P06756 5/20 0.66
ITGA2B P08514 2/20 0.48
ITGA4 P13612 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
SCHEMBL14270774 0.92 ITGB1 (0.67) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4064730 0.92 ITGB1 (0.78) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL4929723 0.91 ITGB1 (0.65) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4920461 0.89 ITGB1 (0.61) ITGB1ITGA5ITGB3ITGAV
SCHEMBL14270716 0.89 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4071574 0.87 ITGB1 (0.65) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4074937 0.86 ITGB1 (0.83) ITGB1ITGA5ITGB3ITGAV
SCHEMBL4391450 0.85 ITGB1 (0.78) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4931464 0.84 ITGB1 (0.66) ITGB1ITGA5ITGB3ITGAVITGA4
SCHEMBL4918910 0.84 ITGB1 (0.81) ITGB1ITGA5ITGB3ITGAV

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.