SCHEMBL4876032

SCHEMBL4876032

N=C(N)NC(=O)CCCOc1ccc(CC(NC(=O)OCCC23CC4CC(CC(C4)C2)C3)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.45
ITGA2B P08514 18/20 0.45
LMNA P02545 1/20 0.44
ITGAV P06756 1/20 0.42

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
SCHEMBL4832505 1.00 ITGB3 (0.45) ITGB3ITGA2BLMNAITGAV
SCHEMBL4832623 0.92 ITGB3 (0.46) ITGB3ITGA2BLMNAITGAV
SCHEMBL14306994 0.89 MEN1 (0.41) ITGB3ITGA2B
SCHEMBL5174469 0.84 ITGB3 (0.42) ITGB3ITGA2BLMNAITGAV
SCHEMBL14253141 0.84 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL14316415 0.81 ACACB (0.42)
SCHEMBL7046619 0.81 LMNA (0.48) ITGB3ITGA2BLMNAITGAV
SCHEMBL4835768 0.81 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL5175196 0.76 ITGB3 (0.43) ITGB3ITGA2BLMNAITGAV
SCHEMBL4834857 0.76 ITGB3 (0.46) ITGB3ITGA2BLMNAITGAV

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-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2003-03-13 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-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, CALCRL, ADGRE5 ITGB3 545/4885ITGA2B 384/4885LMNA 580/4885

“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.