SCHEMBL6178889

SCHEMBL6178889

CNc1cccc(CCOc2ccc(C[C@@H](CC(=O)O)c3nccs3)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.74
ITGAV P06756 20/20 0.74
ITGB1 P05556 16/20 0.59
ITGA5 P08648 16/20 0.59
ITGB5 P18084 3/20 0.51
ITGB6 P18564 1/20 0.50
ITGA2B P08514 1/20 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
SCHEMBL6175851 1.00 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6175847 1.00 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6180607 0.88 ITGB3 (0.74) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6177505 0.86 ITGB3 (0.75) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6177136 0.85 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6176301 0.85 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6490652 0.85 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL1822558 0.84 ITGB3 (0.69) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6176398 0.84 ITGB3 (0.79) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6176294 0.83 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA5ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR ITGB3 82/4885ITGAV 146/4885ITGB1 16/4885

“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.