SCHEMBL4894038

SCHEMBL4894038

CCOC(C=O)CCOc1ccc(C[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ITGB3 P05106 14/20 0.42
ITGA2B P08514 14/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGAV P06756 1/20 0.41
PPARG P37231 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KLKB1 P03952 1/20 0.39

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
SCHEMBL4834857 0.83 ITGB3 (0.46) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL5175196 0.83 ITGB3 (0.43) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL4899787 0.82 ITGB3 (0.62) ITGB3ITGA2BITGAVPPARG
SCHEMBL4894047 0.81 LMNA (0.43) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL4832623 0.76 ITGB3 (0.46) LMNAITGB3ITGA2BITGAV
SCHEMBL5174469 0.75 ITGB3 (0.42) LMNAITGB3ITGA2BITGAVPPARG
SCHEMBL14253148 0.74 ACACB (0.46)
SCHEMBL5177244 0.73 ITGB3 (0.44) ITGB3ITGA2BITGAVKLKB1
SCHEMBL4832543 0.72 ITGB3 (0.55) LMNAITGB3ITGA2BITGAV
SCHEMBL4835350 0.71 ITGB3 (0.60) LMNAITGB3ITGA2BITGAV

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-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2008-01-24 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 (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 LMNA 498/4885ITGB3 536/4885ITGA2B 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.