SCHEMBL7211708

SCHEMBL7211708

O=C(CN1C(=O)N[C@@H](CCCNC2=NCCN2)C1=O)NC[C@H](NC(=O)C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.76
ITGAV P06756 19/20 0.76
ITGA2B P08514 9/20 0.49
LMNA P02545 1/20 0.40

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
SCHEMBL244300 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL606799 0.83 ITGB3 (0.58) ITGB3ITGAVITGA2BLMNA
SCHEMBL5066046 0.81 ITGAV (0.52) ITGB3ITGAVITGA2B
SCHEMBL606801 0.81 ITGAV (0.52) ITGB3ITGAVITGA2B
SCHEMBL7212645 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2BLMNA
SCHEMBL7216485 0.75 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL7397240 0.74 ITGB3 (0.76) ITGB3ITGAVITGA2BLMNA
SCHEMBL7212659 0.72 ITGAV (0.56) ITGB3ITGAVITGA2B
SCHEMBL7211723 0.71 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7392649 0.71 ITGB3 (0.74) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9255664-A None JP disclosed
US-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
EP-0796855-B1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 2002-02-06 EP disclosed
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 US disclosed
JP-H09255664-A NEW BONE-RESORPTION INHIBITOR AND ANTAGONIST FOR VITRONECTIN RECEPTOR HOECHST AG 1997-09-30 JP disclosed
EP-0796855-A1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-24 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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885ITGA2B 534/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885ITGA2B 534/4885

“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.