SCHEMBL4928322

SCHEMBL4928322

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.53
ITGA5 P08648 5/20 0.53
ITGA4 P13612 13/20 0.50
ITGB7 P26010 5/20 0.48
ITGA2 P17301 1/20 0.48
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
PSMB5 P28074 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
SCHEMBL4248263 0.93 ITGB1 (0.55) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL4253009 0.91 ITGB1 (0.54) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL8232468 0.91 ITGB1 (0.54) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL18067854 0.87 ITGB1 (0.53) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL18067856 0.87 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL18067868 0.86 ITGB1 (0.55) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL4928013 0.86 ITGB1 (0.54) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL8235253 0.84 ITGB1 (0.52) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL4068087 0.84 ITGB1 (0.70) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL13726463 0.83 ATM (0.59) ITGB1ITGA4ITGB7ITGA2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
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 7/4885ITGA4 27/4885

“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.