SCHEMBL6177136

SCHEMBL6177136

CNc1cccc(CCOc2ccc(CC(CC(=O)O)c3ccccc3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGB1 P05556 13/20 0.65
ITGA5 P08648 12/20 0.65
ITGB6 P18564 3/20 0.61
ITGB5 P18084 3/20 0.61
ITGA2B P08514 1/20 0.61

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
SCHEMBL6176301 1.00 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6178494 0.93 ITGB3 (0.87) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6175429 0.92 ITGB3 (0.86) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6191198 0.91 ITGB3 (0.83) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1820551 0.91 ITGB3 (0.83) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1821210 0.91 ITGB3 (0.83) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL1830769 0.90 ITGB3 (0.81) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL7512617 0.90 ITGB3 (0.81) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6176398 0.89 ITGB3 (0.79) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6177494 0.88 ITGB3 (0.78) ITGB3ITGAVITGB1ITGA5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP claimed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP claimed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO 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.