SCHEMBL4930145

SCHEMBL4930145

O=C(N[C@@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.59
ITGA5 P08648 7/20 0.59
ITGA4 P13612 13/20 0.59
ITGB7 P26010 4/20 0.56
ITGA2 P17301 1/20 0.56
ITGB3 P05106 2/20 0.55
ITGAV P06756 2/20 0.55

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
SCHEMBL8232423 0.90 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL5784280 0.90 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL3821763 0.90 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL919732 0.89 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL919899 0.88 ITGB1 (0.47) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL13851719 0.85 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA2
SCHEMBL7538961 0.84 ITGB1 (0.73) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL21519808 0.83 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL21519806 0.83 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL919553 0.83 ITGB1 (0.52) ITGB1ITGA5ITGA4ITGB7ITGA2

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 7/4885ITGA4 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.