SCHEMBL5045604

SCHEMBL5045604

CC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.48
CTSS P25774 4/20 0.45
CTSK P43235 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
PPARA Q07869 5/20 0.44
PPARG P37231 4/20 0.44
PTPN1 P18031 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
REN P00797 4/20 0.43
MME P08473 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARD Q03181 2/20 0.43
PTPRA P18433 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
SCHEMBL268002 0.91 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL29613833 0.91 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL215179 0.91 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL215178 0.91 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL29573143 0.91 ACE (0.56) ACECTSSCTSKCTSLCTSB
SCHEMBL3823696 0.91 HDAC6 (0.52) CTSSCTSKCTSLCTSBREN
SCHEMBL8138118 0.89 ACE (0.59) ACECTSSCTSKCTSLCTSB
SCHEMBL5671145 0.89 ACE (0.59) ACECTSSCTSKCTSLCTSB
SCHEMBL16228480 0.87 ATM (0.50) ACECTSSCTSKCTSLCTSB
SCHEMBL16228483 0.87 ATM (0.50) ACECTSSCTSKCTSLCTSB

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
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 ACE 1755/4885CTSS 459/4885CTSK 393/4885

“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.