SCHEMBL6174342

SCHEMBL6174342

CC(C)(C)OC(=O)N(CCCOc1ccc(C[C@@H](CC(=O)O)c2ccccc2)cc1)c1cccc[n+]1[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.45
ITGAV P06756 8/20 0.45
ITGB6 P18564 4/20 0.45
ITGB1 P05556 3/20 0.45
ITGB5 P18084 3/20 0.45
ITGA2B P08514 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
LTA4H P09960 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
SLC6A9 P48067 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL6177744 0.78 ITGB3 (0.46) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6178236 0.74 L3MBTL1 (0.35) L3MBTL1KDM4EALDH1A1
SCHEMBL6179701 0.74 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6178122 0.74 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6178764 0.74 ITGB3 (0.64) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6178108 0.73 ITGB3 (0.61) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7519784 0.73 ITGB3 (0.61) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6180961 0.73 L3MBTL1 (0.34) L3MBTL1
SCHEMBL6177046 0.71 L3MBTL1 (0.32) L3MBTL1
SCHEMBL6417946 0.70 ITGB3 (0.41) ITGB3ITGAVITGB1ITGB5ITGA2B

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 146/4885ITGB6 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.