SCHEMBL1024654

SCHEMBL1024654

CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NCCC[C@@H](CC(=O)NCCN(Cc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 2/20 0.49
SIRT2 Q8IXJ6 4/20 0.49
MAPT P10636 1/20 0.47
SYK P43405 1/20 0.45
SIRT1 Q96EB6 2/20 0.44
SIRT3 Q9NTG7 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
CAPN1 P07384 1/20 0.43
CAPN2 P17655 1/20 0.43

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
SCHEMBL1022335 0.92 SYK (0.53) KLK7KLK5SIRT2MAPTSYK
SCHEMBL4852363 0.92 KLK7 (0.54) KLK7KLK5SIRT2MAPTSIRT1
SCHEMBL1021681 0.89 KLK7 (0.51) KLK7KLK5SIRT2MAPTSIRT1
SCHEMBL4884444 0.89 KLK7 (0.53) KLK7KLK5SIRT2MAPTSYK
SCHEMBL1021946 0.87 CTSS (0.51) KLK7KLK5SIRT2MAPTSYK
SCHEMBL1023528 0.84 KLK7 (0.47) KLK7KLK5SIRT2MAPTSIRT1
SCHEMBL4857149 0.81 MAPT (0.58) KLK7KLK5SIRT2MAPTSYK
SCHEMBL1021128 0.81 SIRT5 (0.45) KLK7KLK5MAPTSYKCTSL
SCHEMBL1024172 0.81 ANPEP (0.47) SIRT2CPB1CPB2
SCHEMBL2265891 0.81 SYK (0.54) KLK7KLK5SYKCTSLCTSS

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-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 WO 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC KLK7 3789/4885KLK5 2790/4885SIRT2 115/4885

“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.