SCHEMBL2367071

SCHEMBL2367071

COC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H](C[Si](C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.48
SCN9A Q15858 1/20 0.47
CYP3A4 P08684 8/20 0.47
NLRP3 Q96P20 1/20 0.47
REN P00797 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.45
CTSK P43235 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
SCHEMBL27683505 1.00 KLK5 (0.48) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL13323781 1.00 KLK5 (0.48) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL13323784 0.91 ACE (0.52) SCN9ACYP3A4RENCTSLCTSB
SCHEMBL2367464 0.91 ACE (0.52) SCN9ACYP3A4RENCTSLCTSB
SCHEMBL12290542 0.91 KLK5 (0.55) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL21875889 0.91 KLK5 (0.55) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL2367394 0.91 KLK5 (0.55) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL30547271 0.91 KLK5 (0.55) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL3820580 0.89 KLK5 (0.48) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL16313963 0.85 SCN9A (0.46) KLK5SCN9ACYP3A4NLRP3REN

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 6 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
CN-101466729-A Lysobactin amides AICURIS GMBH & CO KG (DE) 2009-06-24 CN disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP 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
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed
CN-101056887-A Acylated nonadepsipeptides used as lysobactin derivatives AICURIS GMBH & CO KG (DE) 2007-10-17 CN 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 KLK5 2925/4885SCN9A 4101/4885CYP3A4 4034/4885

“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.