SCHEMBL7988004

SCHEMBL7988004

O=C(O)CC(NC(=O)C[N+]1(CCCNC2=NCCN2)C(=O)CNC1=O)NC(=O)C(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.35
ITGAV P06756 17/20 0.35
ITGA2B P08514 5/20 0.35
ITGB5 P18084 5/20 0.35
ITGB6 P18564 2/20 0.32
CXCR4 P61073 3/20 0.32
ITGB1 P05556 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB8 P26012 1/20 0.30
ITGA8 P53708 1/20 0.30

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
SCHEMBL606800 0.94 ITGB3 (0.34) ITGB3ITGAVITGA2BITGB5CXCR4
SCHEMBL7217714 0.85 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5
SCHEMBL7212652 0.83 ITGB3 (0.35) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211342 0.72 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB5
SCHEMBL7212721 0.70 ITGB3 (0.35) ITGB3ITGAVITGA2B
SCHEMBL7212746 0.68 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7212704 0.68 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217610 0.67 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211648 0.67 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5
SCHEMBL606801 0.62 ITGAV (0.52) ITGB3ITGAVITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9255664-A None JP 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

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-20010021708-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.