SCHEMBL4156580

SCHEMBL4156580

CC(C)(C)OC(=O)NC(CCCC(N)C(=O)OC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.53
CTSK P43235 3/20 0.48
PPARG P37231 2/20 0.48
ACE P12821 1/20 0.47
CTSS P25774 2/20 0.45
SYK P43405 1/20 0.45
MAPT P10636 1/20 0.45
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3937813 0.92 PPARA (0.56) PPARACTSKPPARGACECTSS
SCHEMBL29396254 0.92 PPARA (0.56) PPARACTSKPPARGACECTSS
Lysine SCHEMBL1024011 0.86 PPARA (0.47) PPARACTSKMAPTKLK7KLK5
SCHEMBL31300256 0.85 CTSK (0.52) PPARACTSKCTSSSYKMAPT
SCHEMBL1021830 0.84 CTSK (0.50) PPARACTSKPPARGCTSSSYK
SCHEMBL918814 0.84 MAPT (0.52) CTSKSYKMAPTKLK7KLK5
SCHEMBL1021939 0.84 MAPT (0.52) CTSKSYKMAPTKLK7KLK5
SCHEMBL3820597 0.83 KLK7 (0.50) PPARACTSKCTSSSYKMAPT
SCHEMBL375888 0.83 KLK7 (0.50) PPARACTSKCTSSSYKMAPT
SCHEMBL3824366 0.83 MAPT (0.56) SYKMAPTKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035851-A1 Modulators Of NOD1 Signaling THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-02-05 US disclosed
US-20060258580-A1 Such as N-acyl/myristoyl-gamma-glucose-diaminopimelic acid dipeptides; for activation of nuclear factor kappa beta; for treatment of inflammatory diseases such as Crohn's disease and asthma; drug screening REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-11-16 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-20060258580-A1 Such as N-acyl/myristoyl-gamma-glucose-diaminopimelic acid dipeptides; for activation of nuclear factor kappa beta; for treatment of inflammatory diseases such as Crohn's disease and asthma; drug screening NOD2, NOD1, TLR1 PPARA 1803/4885CTSK 4198/4885PPARG 1451/4885

“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.