SCHEMBL4835768

SCHEMBL4835768

N=C(N)NC(=O)CCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.69
ITGA2B P08514 18/20 0.69
ITGAV P06756 1/20 0.58
HDAC8 Q9BY41 1/20 0.51
GPR34 Q9UPC5 1/20 0.48

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
SCHEMBL5175122 0.89 ITGB3 (0.57) ITGB3ITGA2BITGAVHDAC8
SCHEMBL7222406 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7223697 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL22540878 0.85 ITGB3 (0.73) ITGB3ITGA2BITGAVHDAC8
SCHEMBL7919738 0.85 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL6221346 0.84 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL5400248 0.83 ITGB3 (0.79) ITGB3ITGA2BITGAVHDAC8GPR34
SCHEMBL5400258 0.83 ITGB3 (0.79) ITGB3ITGA2BITGAVHDAC8GPR34
SCHEMBL7411737 0.83 ITGB3 (0.78) ITGB3ITGA2BITGAVHDAC8
SCHEMBL7391462 0.82 ITGB3 (0.78) ITGB3ITGA2BITGAVHDAC8GPR34

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 5 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
EP-0865446-B1 AGENTS FOR PROMOTING BONE FORMATION AVENTIS PHARMA SA (FR) 2007-03-21 EP 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 379/4885ITGAV 737/4885
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, CALCRL, ADGRE5 ITGB3 545/4885ITGA2B 384/4885ITGAV 684/4885

“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.