SCHEMBL2367464

SCHEMBL2367464

CC(C)(C)OC(=O)N[C@H](C[Si](C)(C)C)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.52
CYP3A4 P08684 10/20 0.50
SCN9A Q15858 1/20 0.50
CTSS P25774 2/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSK P43235 1/20 0.48
REN P00797 1/20 0.47
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL13323784 1.00 ACE (0.52) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL13323781 0.91 KLK5 (0.48) CYP3A4SCN9ACTSSCTSLCTSB
SCHEMBL2367071 0.91 KLK5 (0.48) CYP3A4SCN9ACTSSCTSLCTSB
SCHEMBL27683505 0.91 KLK5 (0.48) CYP3A4SCN9ACTSSCTSLCTSB
SCHEMBL479035 0.90 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL30655780 0.90 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL29401567 0.90 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL479037 0.90 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL606221 0.90 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL
SCHEMBL30547269 0.90 ACE (0.61) ACECYP3A4SCN9ACTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 US disclosed
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC ACE 1494/4885CYP3A4 4034/4885SCN9A 4101/4885

“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.