SCHEMBL277671

SCHEMBL277671

Cc1ccc(C)c(CC(NC(=O)OC(C)(C)C)C(=O)Cc2ncccc2C(=O)NC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ACE P12821 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TACR1 P25103 1/20 0.35
ANO1 Q5XXA6 2/20 0.35
SCN9A Q15858 9/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CYP3A4 P08684 2/20 0.33

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
SCHEMBL277718 0.92 SCN9A (0.41) SMN1; SMN2MAPTACETACR1ANO1
SCHEMBL277941 0.90 ANO1 (0.39) SMN1; SMN2ACEHTTLMNATP53
SCHEMBL277711 0.87 ACE (0.43) MAPTACEHTTLMNATP53
SCHEMBL270683 0.84 HTT (0.37) SMN1; SMN2MAPTHTTLMNATP53
SCHEMBL268422 0.84 CTSS (0.51) ANO1SCN9ACTSSCTSKCYP3A4
SCHEMBL268438 0.84 SCN9A (0.40) SMN1; SMN2MAPTACETP53GAA
SCHEMBL269249 0.84 SCN9A (0.48) ACEANO1SCN9ACTSSCTSK
SCHEMBL268932 0.83 ANO1 (0.43) MAPTACEGAAPKMKDM4E
SCHEMBL269166 0.83 ACE (0.40) SMN1; SMN2ACESCN9ACTSSCTSK
SCHEMBL269165 0.83 ACE (0.40) SMN1; SMN2ACESCN9ACTSSCTSK

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-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 SMN1; SMN2 4330/4885MAPT 4612/4885ACE 135/4885

“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.