SCHEMBL5455725

SCHEMBL5455725

Cc1nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c(-c2c(F)cccc2F)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.45
DPP8 Q6V1X1 3/20 0.45
DPP9 Q86TI2 2/20 0.44
KDM4A O75164 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CYP3A4 P08684 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
KCNA5 P22460 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
SCHEMBL5455502 0.92 BDKRB1 (0.37) DPP4DPP8DPP9KDM4ACTSS
SCHEMBL5443078 0.87 DPP4 (0.54) DPP4DPP8DPP9KDM4A
SCHEMBL5443593 0.87 DPP4 (0.54) DPP4DPP8DPP9
SCHEMBL5445504 0.85 DPP4 (0.64) DPP4DPP8DPP9
SCHEMBL5456858 0.84 DPP4 (0.55) DPP4DPP8DPP9
SCHEMBL3897103 0.83 DPP4 (0.47) DPP4CYP3A4SCN9ASCN10A
SCHEMBL5739337 0.82 DPP4 (0.53) DPP4DPP8DPP9POLBMAPK1
SCHEMBL5445312 0.80 DPP4 (0.46) DPP4DPP8DPP9KDM4A
SCHEMBL3907842 0.79 DPP4 (0.43) DPP4KDM4ACYP3A4SCN9ASCN10A
Hydrochloric Acid SCHEMBL5443567 0.79 DPP4 (0.69) 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 1 patent. 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

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.