SCHEMBL4899787

SCHEMBL4899787

CCOC(C=O)CCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.62
ITGA2B P08514 14/20 0.62
ITGAV P06756 1/20 0.55
PPARG P37231 2/20 0.51
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CTSL P07711 2/20 0.47

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
SCHEMBL8775513 0.84 ITGB3 (0.74) ITGB3ITGA2BITGAVPPARGMME
SCHEMBL8366722 0.84 ITGB3 (0.71) ITGB3ITGA2BITGAVPPARGMME
SCHEMBL14485361 0.84 ITGB3 (0.71) ITGB3ITGA2BITGAVPPARGMME
SCHEMBL5400258 0.82 ITGB3 (0.79) ITGB3ITGA2BITGAVPPARGHDAC8
SCHEMBL5400248 0.82 ITGB3 (0.79) ITGB3ITGA2BITGAVPPARGHDAC8
SCHEMBL10349352 0.82 ITGB3 (0.78) ITGB3ITGA2BITGAVCTSL
SCHEMBL4894038 0.82 LMNA (0.42) ITGB3ITGA2BITGAVPPARG
SCHEMBL5401333 0.81 ITGB3 (0.76) ITGB3ITGA2BITGAVPPARGHDAC8
SCHEMBL5401328 0.81 ITGB3 (0.76) ITGB3ITGA2BITGAVPPARGHDAC8
SCHEMBL4830419 0.81 ITGB3 (0.70) ITGB3ITGA2BITGAVPPARGMME

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 ITGB3 536/4885ITGA2B 379/4885ITGAV 737/4885

“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.