SCHEMBL4857153

SCHEMBL4857153

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.47
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
SIRT1 Q96EB6 4/20 0.46
SIRT3 Q9NTG7 4/20 0.46
SYK P43405 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
MAPT P10636 1/20 0.46
TPSAB1 Q15661 1/20 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
SCHEMBL4848153 0.86 TPSAB1 (0.47) SIRT2SIRT1SIRT3SYKCPB1
SCHEMBL21460905 0.84 MAPT (0.51) KLK7KLK5SYKMAPTTPSAB1
SCHEMBL21460902 0.84 MAPT (0.51) KLK7KLK5SYKMAPTTPSAB1
SCHEMBL4857149 0.84 MAPT (0.58) SIRT2KLK7KLK5CTSSCTSL
SCHEMBL4848148 0.83 CPB1 (0.49) SIRT2KLK7KLK5CTSSCTSL
SCHEMBL8068255 0.81 TPSAB1 (0.46) KLK7KLK5SYKMAPTTPSAB1
SCHEMBL12148814 0.81 MAPT (0.62) SIRT2KLK7KLK5SIRT1SIRT3
SCHEMBL30902797 0.81 MAPT (0.62) SIRT2KLK7KLK5CTSSCTSL
SCHEMBL10242708 0.81 KLK7 (0.54) SIRT2KLK7KLK5CTSSSIRT1
SCHEMBL5309220 0.81 CTSL (0.62) SIRT2KLK7KLK5CTSSCTSL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SIRT2 115/4885KLK7 3789/4885KLK5 2790/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 SIRT2 264/4885KLK7 4300/4885KLK5 4270/4885

“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.