SCHEMBL5455502

SCHEMBL5455502

COC(=O)c1c(C)nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c1-c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.37
DPP4 P27487 13/20 0.37
KDM4A O75164 1/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
KCNA5 P22460 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL5455725 0.92 DPP4 (0.45) DPP4KDM4ADPP8DPP9POLB
SCHEMBL5447585 0.87 GCGR (0.46) DPP4DPP8DPP9
SCHEMBL5445312 0.87 DPP4 (0.46) DPP4KDM4ADPP8DPP9
SCHEMBL5445522 0.85 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL5451101 0.82 DPP4 (0.53) DPP4DPP8DPP9
SCHEMBL3907842 0.82 DPP4 (0.43) DPP4KDM4A
SCHEMBL5461683 0.80 POLB (0.44) DPP4DPP8DPP9POLBMAPK1
SCHEMBL5452801 0.79 DPP4 (0.45) DPP4DPP8DPP9
SCHEMBL5443078 0.79 DPP4 (0.54) DPP4KDM4ADPP8DPP9
SCHEMBL5443593 0.79 DPP4 (0.54) 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 BDKRB1 895/4885DPP4 1/4885KDM4A 151/4885

“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.