SCHEMBL5350720

SCHEMBL5350720

CC(C)(C)OC(=O)N[C@@H](CSCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.68
PPARG P37231 11/20 0.68
PPARD Q03181 2/20 0.62
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
ACE P12821 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
SYK P43405 1/20 0.50
CTSS P25774 1/20 0.50

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
SCHEMBL7542832 0.86 PPARA (0.65) PPARAPPARGPPARDACEKLK5
SCHEMBL7542840 0.86 PPARA (0.65) PPARAPPARGPPARDACEKLK5
SCHEMBL428113 0.86 PPARA (0.61) PPARAPPARGPPARDACEKLK7
SCHEMBL2009896 0.86 PPARA (0.61) PPARAPPARGPPARDACEKLK7
SCHEMBL376018 0.86 PPARA (0.61) PPARAPPARGPPARDACEKLK7
SCHEMBL84710 0.85 PPARA (0.63) PPARAPPARGPPARDACEKLK7
SCHEMBL344669 0.85 PPARA (0.63) PPARAPPARGPPARDACEKLK7
SCHEMBL344670 0.85 PPARA (0.63) PPARAPPARGPPARDACEKLK7
SCHEMBL3362562 0.85 PPARA (0.90) PPARAPPARGPPARDACE
SCHEMBL3582418 0.85 PPARA (0.90) PPARAPPARGPPARDACE

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
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7144886-B2 Dipeptidyl peptidase IV (DP-IV) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2006-12-05 US disclosed
EP-1693365-A1 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2006-08-23 EP disclosed
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2005-01-06 US disclosed
US-20030216450-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2003-11-20 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-20030216450-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP8 PPARA 4276/4885PPARG 3868/4885PPARD 3988/4885
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents DPP4, DPP8, DPP3 PPARA 3919/4885PPARG 2419/4885PPARD 3152/4885

“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.