SCHEMBL4838464

SCHEMBL4838464

CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.63
ITGAV P06756 20/20 0.63
ITGA2B P08514 11/20 0.63
ITGB5 P18084 1/20 0.41

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
SCHEMBL3366686 0.91 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5
SCHEMBL6016209 0.87 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL4838471 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5
SCHEMBL7223767 0.85 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5
SCHEMBL6829399 0.82 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL6831996 0.81 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7651509 0.80 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5
SCHEMBL5176163 0.80 SYK (0.49)
SCHEMBL7232314 0.80 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5
SCHEMBL7406088 0.79 ITGB3 (0.65) ITGB3ITGAVITGA2B

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 6 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-0820991-B1 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AG (DE) 2007-08-29 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
EP-0820991-A2 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-28 EP 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 536/4885ITGAV 737/4885ITGA2B 379/4885
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, CALCRL, ADGRE5 ITGB3 545/4885ITGAV 684/4885ITGA2B 384/4885

“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.