SCHEMBL5454902

SCHEMBL5454902

COC(=O)c1cccc(OCc2c(C)nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c2-c2ccc(C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.52
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
VDR P11473 1/20 0.40

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
SCHEMBL5447683 0.93 DPP4 (0.51) DPP4TSHRATMNPSR1
SCHEMBL5444951 0.91 DPP4 (0.47) DPP4
SCHEMBL5446004 0.87 DPP4 (0.47) DPP4
SCHEMBL5449257 0.86 DPP4 (0.49) DPP4
SCHEMBL5447505 0.86 DPP4 (0.51) DPP4
SCHEMBL5444852 0.85 DPP4 (0.52) DPP4
SCHEMBL5447188 0.85 DPP4 (0.49) DPP4
SCHEMBL5446134 0.85 DPP4 (0.54) DPP4
SCHEMBL5452600 0.85 DPP4 (0.55) DPP4
SCHEMBL5449731 0.85 DPP4 (0.74) DPP4

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 1/4885TSHR 1907/4885ATM 4187/4885

“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.