SCHEMBL10074729

SCHEMBL10074729

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 2/20 0.55
DPP4 P27487 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
TGM2 P21980 9/20 0.49
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TGM6 O95932 1/20 0.41
F13A1 P00488 1/20 0.41
TGM1 P22735 1/20 0.41

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
SCHEMBL2859559 0.85 DPP4 (0.66) DPP8DPP9DPP4DPP7ITGB3
SCHEMBL2859552 0.85 DPP4 (0.66) DPP8DPP9DPP4DPP7ITGB3
SCHEMBL10077062 0.83 TGM2 (0.69) DPP8DPP9ITGB3ITGA2BTGM2
SCHEMBL2858566 0.81 DPP8 (0.56) DPP8DPP9DPP4DPP7TGM2
SCHEMBL2858562 0.81 DPP8 (0.56) DPP8DPP9DPP4DPP7TGM2
SCHEMBL2854140 0.77 TLR2 (0.53) DPP8DPP9DPP4DPP7ITGB3
SCHEMBL2854141 0.77 TLR2 (0.53) DPP8DPP9DPP4DPP7ITGB3
SCHEMBL13041082 0.77 KLK7 (0.57) DPP8DPP9ITGB3ITGA2BTGM2
SCHEMBL18560008 0.77 KLK7 (0.57) DPP8DPP9ITGB3ITGA2BTGM2
SCHEMBL10074998 0.77 DPP4 (0.53) DPP8DPP9DPP4DPP7ITGB3

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
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed
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 DPP8 127/4885DPP9 97/4885DPP4 121/4885

“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.