SCHEMBL3823930

SCHEMBL3823930

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.56
CTSK P43235 9/20 0.54
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52

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
SCHEMBL3827253 0.99 REN (0.58) RENCTSKCTSSCTSL
SCHEMBL5048330 0.96 CTSK (0.56) RENCTSKCTSSCTSL
SCHEMBL8140311 0.95 REN (0.60) RENCTSKCTSSCTSL
SCHEMBL3819505 0.92 CTSS (0.58) RENCTSKCTSSCTSL
SCHEMBL7421510 0.91 CACNA1B (0.57) RENCTSKCTSSCTSL
SCHEMBL7862381 0.90 CTSS (0.57) RENCTSKCTSSCTSL
SCHEMBL25977611 0.88 CTSK (0.65) RENCTSKCTSSCTSL
SCHEMBL4576421 0.88 CTSK (0.65) RENCTSKCTSSCTSL
SCHEMBL16984912 0.88 CTSK (0.65) RENCTSKCTSSCTSL
SCHEMBL8141216 0.88 REN (0.56) RENCTSKCTSL

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 5 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-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 REN 1354/4885CTSK 393/4885CTSS 459/4885

“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.