SCHEMBL4640251

SCHEMBL4640251

O=C(N[C@@H](Cn1cnc2c(N3CCC(C(=O)NC4=NCCCN4)CC3)ncnc21)C(=O)O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.49
ITGAV P06756 20/20 0.49
ITGA2B P08514 4/20 0.49
ITGB5 P18084 2/20 0.43

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
SCHEMBL4644035 0.92 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5
SCHEMBL7702988 0.92 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5
SCHEMBL4640085 0.88 ITGAV (0.38) ITGB3ITGAVITGA2BITGB5
SCHEMBL4640112 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5
SCHEMBL4640260 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5
SCHEMBL6884447 0.85 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802240 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL4641449 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802237 0.85 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6811091 0.84 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853084-B1 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AG (DE) 2008-08-13 EP claimed
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US claimed
EP-0853084-A2 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-15 EP claimed
EP-0853084-B1 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AG (DE) 2008-08-13 EP disclosed
US-6992187-B2 Process for the preparation of birthonectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-01-31 US disclosed
US-20040248907-A1 Process for the preparation of birthonectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-09 US disclosed
EP-1315728-B1 PROCESS FOR THE PREPARATION OF VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2004-10-27 EP disclosed
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed
EP-0853084-A2 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-15 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 (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-20040248907-A1 Process for the preparation of birthonectin receptor antagonists NGFR, TNFSF11, NRP1 ITGB3 908/4885ITGAV 506/4885ITGA2B 1030/4885

“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.