SCHEMBL3820580

SCHEMBL3820580

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.48
SCN9A Q15858 1/20 0.48
CYP3A4 P08684 8/20 0.48
NLRP3 Q96P20 1/20 0.48
REN P00797 2/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.46
CTSK P43235 1/20 0.46
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30547271 0.92 KLK5 (0.55) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL12290542 0.92 KLK5 (0.55) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL21875889 0.92 KLK5 (0.55) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL2367394 0.92 KLK5 (0.55) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL3820572 0.91 ACE (0.53) SCN9ACYP3A4RENCTSLCTSB
SCHEMBL13323781 0.89 KLK5 (0.48) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL2367071 0.89 KLK5 (0.48) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL27683505 0.89 KLK5 (0.48) KLK5SCN9ACYP3A4NLRP3REN
SCHEMBL13323764 0.88 CTSB (0.58) CYP3A4CTSLCTSBCTSSCTSK
SCHEMBL14190227 0.87 KLK5 (0.49) KLK5RENCTSLCTSBCTSS

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-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP KLK5 1067/4885SCN9A 2511/4885CYP3A4 4606/4885

“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.