SCHEMBL6178764

SCHEMBL6178764

O=C(O)C[C@@H](Cc1ccc(OCCCNc2cccc[n+]2[O-])cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.64
ITGAV P06756 11/20 0.64
ITGB1 P05556 5/20 0.64
ITGB6 P18564 4/20 0.64
ITGB5 P18084 3/20 0.64
ITGA2B P08514 1/20 0.43
ALOX15 P16050 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
LTA4H P09960 2/20 0.39
FFAR1 O14842 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ITGA5 P08648 2/20 0.38
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL6178122 1.00 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6179701 1.00 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7260047 0.91 ITGB3 (0.54) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7524219 0.89 ITGB3 (0.52) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7524212 0.89 ITGB3 (0.52) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6175356 0.87 ITGB3 (0.64) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6181426 0.81 ITGB3 (0.51) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176988 0.80 ITGB3 (0.80) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176984 0.80 ITGB3 (0.80) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6774096 0.79 LTA4H (0.41) ITGB3ITGAVITGB1ITGB6ITGB5

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 4 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 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.