SCHEMBL4926947

SCHEMBL4926947

O=C(N[C@@H](Cc1ccc(CCCc2ccc3c(n2)NCCO3)cc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.80
ITGA5 P08648 15/20 0.80
ITGAV P06756 10/20 0.80
ITGB3 P05106 8/20 0.80
ITGA4 P13612 3/20 0.53
ITGB6 P18564 2/20 0.53
ITGB7 P26010 2/20 0.47

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
SCHEMBL4927387 0.94 ITGB1 (0.72) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL4245995 0.91 ITGB1 (0.67) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL14270764 0.88 ITGAV (0.62) ITGB1ITGA5ITGAVITGB3ITGB6
SCHEMBL4067561 0.87 ITGB1 (0.68) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL4071803 0.85 ITGB1 (0.59) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL4929579 0.84 ITGB1 (0.90) ITGB1ITGA5ITGAVITGB3
SCHEMBL4066315 0.84 ITGB1 (0.90) ITGB1ITGA5ITGAVITGB3
SCHEMBL4064955 0.82 ITGB1 (0.61) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL4201436 0.82 ITGB1 (0.87) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL4253578 0.81 ITGB1 (0.89) ITGB1ITGA5ITGAVITGB3ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US claimed
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 7/4885ITGAV 17/4885

“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.