SCHEMBL16040015

SCHEMBL16040015

NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.45
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ NTSR2 O95665 2/20 0.41
▸ NTSR1 P30989 2/20 0.41
▸ REN P00797 6/20 0.41
▸ F2 P00734 1/20 0.39

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
SCHEMBL16039961 1.00 ACE (0.45) ACEITGB3ITGA2BNTSR2NTSR1
SCHEMBL14486494 1.00 ACE (0.45) ACEITGB3ITGA2BNTSR2NTSR1
SCHEMBL14486485 1.00 ACE (0.45) ACEITGB3ITGA2BNTSR2NTSR1
SCHEMBL14485988 0.96 ACE (0.48) ACEITGB3ITGA2BNTSR2NTSR1
SCHEMBL14485983 0.96 ACE (0.48) ACEITGB3ITGA2BNTSR2NTSR1
SCHEMBL29588517 0.87 ACE (0.52) ACEREN
SCHEMBL29802042 0.87 ACE (0.48) ACEREN
SCHEMBL29801692 0.86 ACE (0.48) ACEREN
SCHEMBL29607893 0.85 KDM1A (0.48) ACEREN
SCHEMBL29801844 0.85 ACE (0.47) ACEREN

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-20140275532-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2014-09-18 — — 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-20140275532-A1 ACYCLIC NUCLEOSIDE PHOSPHONATE DIESTERS NTPCR, PNP, TYMP ACE 826/4885ITGB3 3244/4885ITGA2B 3751/4885

“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.

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