SCHEMBL267770

SCHEMBL267770

CC(C)(C)NC(=O)c1cccnc1CC(=O)C(Cc1cc(C(F)(F)F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SCN10A Q9Y5Y9 4/20 0.37
ANO1 Q5XXA6 2/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
PTPN1 P18031 1/20 0.37
CYP3A4 P08684 5/20 0.36
ACE P12821 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
SCHEMBL269249 0.91 SCN9A (0.48) SCN9ACTSSCTSKSCN10AANO1
SCHEMBL277718 0.90 SCN9A (0.41) SCN9ACTSSCTSKSCN10AANO1
SCHEMBL268932 0.90 ANO1 (0.43) SCN9ACTSSCTSKSCN10AANO1
SCHEMBL268422 0.88 CTSS (0.51) SCN9ACTSSCTSKSCN10AANO1
SCHEMBL277955 0.86 CTSS (0.40) SCN9ACTSSCTSKSCN10AANO1
SCHEMBL277567 0.85 SCN9A (0.43) SCN9ACTSSCTSKSCN10AANO1
SCHEMBL268189 0.85 ALOX5AP (0.37) SCN9ACTSSCTSKSCN10AANO1
SCHEMBL269012 0.85 PTPN1 (0.42) SCN9ACTSSCTSKPTPN1CYP3A4
SCHEMBL270332 0.83 SCN9A (0.49) SCN9ACTSSCTSKSCN10AANO1
SCHEMBL268438 0.83 SCN9A (0.40) SCN9ASCN10AANO1CYP3A4ACE

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 5 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
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 SCN9A 1412/4885CTSS 1680/4885CTSK 2589/4885

“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.