SCHEMBL5455449

SCHEMBL5455449

Cc1ccc(-c2c(COc3ccc(CC(=O)O)cc3)c(C)nc(CC(C)(C)C)c2CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.52
DPP9 Q86TI2 8/20 0.44
DPP8 Q6V1X1 6/20 0.42
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
RXRA P19793 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
HDAC1 Q13547 1/20 0.36
ALOX5 P09917 1/20 0.35
ALOX5AP P20292 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL5442471 0.90 DPP4 (0.50) DPP4DPP9DPP8
SCHEMBL5739223 0.88 DPP4 (0.44) DPP4DPP9DPP8HDAC1
SCHEMBL4113112 0.88 DPP4 (0.66) DPP4DPP9DPP8
SCHEMBL5449916 0.87 DPP4 (0.53) DPP4DPP9DPP8ALOX5ALOX5AP
Hydrochloric Acid SCHEMBL5456188 0.84 DPP4 (0.73) DPP4DPP9DPP8
SCHEMBL5451905 0.82 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5454715 0.81 DPP4 (0.47) DPP4DPP9DPP8
SCHEMBL4112465 0.81 DPP4 (0.68) DPP4DPP9DPP8HDAC1
SCHEMBL5452995 0.80 DPP4 (0.48) DPP4DPP9DPP8
SCHEMBL5444823 0.80 DPP4 (0.44) DPP4DPP9DPP8

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 1/4885DPP9 5/4885DPP8 8/4885

“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.