SCHEMBL14253147

SCHEMBL14253147

C[C@H](Cc1ccc(OCCCC(=O)NC2=NCCCN2)cc1)NC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.52
ITGAV P06756 4/20 0.52
ITGA2B P08514 4/20 0.52
ACACB O00763 14/20 0.38
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL4835350 0.90 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL4918524 0.90 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL5174657 0.89 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL4832543 0.85 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL8588059 0.84 ITGB3 (0.47) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL7216246 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7218511 0.82 ITGB3 (0.55) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL3370168 0.80 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL14316415 0.79 ACACB (0.42) ACACBALDH1A1
SCHEMBL14253148 0.79 ACACB (0.46) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348333-B2 Cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. (FR) 2008-03-25 US disclosed
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2008-01-24 US 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-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, ADGRE5, CALCR ITGB3 536/4885ITGAV 737/4885ITGA2B 379/4885

“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.