SCHEMBL4834857

SCHEMBL4834857

CCOC(=O)CCCOc1ccc(C[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.46
ITGA2B P08514 16/20 0.46
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
ITGAV P06756 1/20 0.45
LMNA P02545 1/20 0.45
CCKBR P32239 1/20 0.44

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
SCHEMBL5177244 0.90 ITGB3 (0.44) ITGB3ITGA2BITGAVCCKBR
SCHEMBL14253148 0.89 ACACB (0.46) CCKBR
SCHEMBL4894047 0.89 LMNA (0.43) ITGB3ITGA2BITGB1ITGA4ITGAV
SCHEMBL4832623 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVLMNA
SCHEMBL4894038 0.83 LMNA (0.42) ITGB3ITGA2BITGB1ITGA4ITGAV
SCHEMBL4830419 0.80 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL4832543 0.80 ITGB3 (0.55) ITGB3ITGA2BITGAVLMNA
SCHEMBL8177199 0.79 ITGB3 (0.69) ITGB3ITGA2BITGB1ITGA4
SCHEMBL4835350 0.78 ITGB3 (0.60) ITGB3ITGA2BITGAVLMNA
SCHEMBL4918524 0.78 ITGB3 (0.60) ITGB3ITGA2BITGAVLMNA

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
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
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2003-03-13 US disclosed
US-6399620-B1 (2S)-2-(1-ADAMANTYL-METHYLOXYCARBONYLAMINO)-3-(4-(3-GUANIDINO -CARBONYL-PROPYLOXY)PHENYL)PROPIONIC ACID; ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS AVENTIS PHARMA S.A. (DE) 2002-06-04 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 (2 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 536/4885ITGA2B 379/4885ITGB1 380/4885
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, CALCRL, ADGRE5 ITGB3 545/4885ITGA2B 384/4885ITGB1 249/4885

“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.