SCHEMBL6179008

SCHEMBL6179008

O=C(O)CC(Nc1ccc(CCCCNc2ccccn2)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 19/20 0.59
▸ ITGAV P06756 19/20 0.59
▸ ITGB6 P18564 4/20 0.55
▸ ITGB1 P05556 4/20 0.55
▸ ITGB5 P18084 3/20 0.55
▸ ITGA2B P08514 4/20 0.53
▸ ITGA5 P08648 1/20 0.51

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
SCHEMBL28747079 0.77 ITGB1 (0.53) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL16607505 0.74 ALDH1A1 (0.53) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6094121 0.74 ITGB6 (0.48) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6098574 0.74 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL24743258 0.73 HDAC3 (0.60) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL19892578 0.72 HPGD (0.69) ITGB1ITGA5
SCHEMBL7264806 0.72 ITGB3 (0.94) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL5846620 0.72 ITGB3 (0.69) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6097098 0.72 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL5691034 0.72 EEF2K (0.48) ITGB3ITGA2B

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 10 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
CN-1299282-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2001-06-13 — — CN 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
CN-1299282-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2001-06-13 — — CN 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 146/4885ITGB6 61/4885

“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.

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