SCHEMBL5457031

SCHEMBL5457031

COC(=O)c1ccc(-c2c(C#N)c(CC(C)C)nc(C)c2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 1/20 0.50
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5441393 0.88 DPP4 (0.41) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL5455705 0.87 DPP4 (0.66) DPP4DPP8DPP9ALDH1A1HPGD
SCHEMBL5449433 0.86 DPP4 (0.54) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL5450191 0.86 ALDH1A1 (0.53) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL4112691 0.86 DPP4 (0.51) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL5741365 0.85 DPP4 (0.55) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL5449059 0.84 GCGR (0.47) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL5463700 0.83 ALDH1A1 (0.43) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL5457960 0.82 DPP4 (0.52) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL5455106 0.82 DPP4 (0.76) DPP4DPP8DPP9

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD DPP4 1/4885DPP8 8/4885DPP9 5/4885

“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.