SCHEMBL6178108

SCHEMBL6178108

CC(C)(C)OC(=O)NCCCOc1ccc(C[C@@H](CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.61
ITGAV P06756 6/20 0.61
ITGB1 P05556 3/20 0.61
ITGB6 P18564 3/20 0.61
ITGB5 P18084 2/20 0.61
SUCNR1 Q9BXA5 8/20 0.55
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
ITGA2B P08514 1/20 0.53

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
SCHEMBL7519784 1.00 ITGB3 (0.61) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7146704 0.81 MEN1 (0.56) SUCNR1
SCHEMBL7146701 0.81 MEN1 (0.56) SUCNR1
SCHEMBL24920672 0.80 CA12 (0.67) SUCNR1CA12CA1CA2CA9
SCHEMBL7136733 0.80 MEN1 (0.51) ITGB3SUCNR1ITGA2B
SCHEMBL7136737 0.80 MEN1 (0.51) ITGB3SUCNR1ITGA2B
SCHEMBL14811632 0.80 CA12 (0.64) ITGB3SUCNR1CA12CA1CA2
SCHEMBL6715357 0.78 CA12 (0.50) ITGB3SUCNR1CA12CA1CA2
SCHEMBL6715354 0.78 CA12 (0.50) ITGB3SUCNR1CA12CA1CA2
SCHEMBL7291406 0.78 ITGB3 (0.82) ITGB3ITGB1SUCNR1CA12CA1

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.