SCHEMBL13059982

SCHEMBL13059982

O=C(CCCNC1=NCCN1)NCCNC(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.63
ITGAV P06756 18/20 0.63
ITGA2B P08514 6/20 0.52
CAPN1 P07384 1/20 0.46
CAPN2 P17655 1/20 0.46

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
SCHEMBL13231063 0.90 ITGB3 (0.59) ITGB3ITGAVITGA2BCAPN1CAPN2
SCHEMBL243035 0.85 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL5755977 0.80 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL8552051 0.79 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7404187 0.79 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7400967 0.78 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL6111422 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2B
Iodide SCHEMBL7403601 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL5027067 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL8177327 0.78 ITGB3 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 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 (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-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN ITGB3 1890/4885ITGAV 2433/4885ITGA2B 1582/4885

“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.