SCHEMBL4920518

SCHEMBL4920518

Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(OCCCNc3ccccn3)cc2)C(=O)O)c(C)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.74
ITGAV P06756 14/20 0.74
ITGB1 P05556 10/20 0.74
ITGA5 P08648 7/20 0.74
MDM4 O15151 1/20 0.60
MDM2 Q00987 1/20 0.60
ITGB6 P18564 3/20 0.58
ITGB5 P18084 2/20 0.58
ITGA2B P08514 5/20 0.57

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
SCHEMBL4066147 0.85 ITGB1 (1.00) ITGB3ITGAVITGB1ITGA5MDM4
SCHEMBL7660387 0.81 ITGB3 (0.65) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL5878281 0.81 ITGB3 (0.65) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL3041592 0.80 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL18067804 0.79 ITGB1 (0.86) ITGB3ITGAVITGB1ITGA5MDM4
SCHEMBL4064907 0.79 ITGB1 (0.86) ITGB3ITGAVITGB1ITGA5MDM4
SCHEMBL18067805 0.79 ITGB1 (0.85) ITGB3ITGAVITGB1ITGA5MDM4
SCHEMBL3162443 0.79 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL8180354 0.79 ITGB3 (0.66) ITGB3ITGAVITGB1ITGA5MDM4
SCHEMBL18067802 0.79 ITGB1 (0.79) ITGB3ITGAVITGB1ITGA5MDM4

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 ITGB3 6/4885ITGAV 17/4885ITGB1 2/4885

“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.