SCHEMBL10077062

SCHEMBL10077062

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.69
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
DPP8 Q6V1X1 1/20 0.54
DPP9 Q86TI2 1/20 0.54
MAPT P10636 1/20 0.54
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
FOLH1 Q04609 2/20 0.52
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48

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
P-Nitrophenol SCHEMBL31174807 0.89 TGM2 (0.56) TGM2PPARGPPARAMAPTKLK7
SCHEMBL13041082 0.87 KLK7 (0.57) TGM2DPP8DPP9MAPTKLK7
SCHEMBL18560008 0.87 KLK7 (0.57) TGM2DPP8DPP9MAPTKLK7
SCHEMBL2334319 0.87 MAPT (0.68) TGM2PPARAMAPTKLK7KLK5
SCHEMBL3210903 0.87 MAPT (0.68) TGM2PPARAMAPTKLK7KLK5
SCHEMBL2334326 0.87 MAPT (0.68) TGM2PPARAMAPTKLK7KLK5
SCHEMBL29400857 0.87 SIRT5 (0.56) TGM2MAPTKLK7KLK5SIRT2
SCHEMBL14334998 0.86 PPARA (0.55) TGM2PPARGPPARAMAPT
SCHEMBL30684686 0.86 MGLL (0.58) TGM2PPARGPPARAMAPTITGB3
SCHEMBL14335086 0.85 PPARA (0.54) TGM2PPARGPPARAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 TGM2 350/4885PPARG 2809/4885PPARA 3830/4885

“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.