SCHEMBL5449178

SCHEMBL5449178

COCc1nc(C)c(C(=O)OC(C)(C)C)c(-c2ccc(C)cc2)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
DPP4 P27487 9/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5451824 0.85 DPP4 (0.45) POLBGAADPP4DPP8DPP9
SCHEMBL5452968 0.84 DPP4 (0.57) DPP4DPP8DPP9
SCHEMBL10617926 0.78 KDM4E (0.65) ABCG2KDM4EALDH1A1POLBKMT2A
SCHEMBL5453279 0.78 HTT (0.49) KDM4EALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL5456252 0.77 DPP4 (0.46) KDM4EALDH1A1POLBSMN1; SMN2GAA
SCHEMBL5442509 0.75 DPP4 (0.52) ABCG2KDM4EALDH1A1POLBKMT2A
SCHEMBL5453608 0.75 DPP4 (0.53) ABCG2KDM4EALDH1A1POLBKMT2A
SCHEMBL5451587 0.74 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL4114038 0.73 DPP4 (0.49) ALDH1A1POLBGAADPP4DPP8
SCHEMBL5448873 0.73 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 ABCG2 191/4885KDM4E 569/4885ALDH1A1 743/4885

“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.