SCHEMBL267989

SCHEMBL267989

CC(C)(C)NC(=O)c1ccc(C(F)(F)F)nc1CC(=O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.40
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
PTPN1 P18031 1/20 0.36
ACE P12821 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
CYP3A4 P08684 1/20 0.34
GPR119 Q8TDV5 1/20 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
SCHEMBL269630 0.85 SCN9A (0.36) SCN9ACTSSCTSKPTPN1TRPV1
SCHEMBL269631 0.85 SCN9A (0.36) SCN9ACTSSCTSKPTPN1TRPV1
SCHEMBL269249 0.85 SCN9A (0.48) SCN9ACTSSCTSKPTPN1ACE
SCHEMBL4597309 0.82 SCN9A (0.42) SCN9ACTSSCTSKPTPN1ACE
SCHEMBL4598875 0.80 CTSS (0.52) SCN9ACTSSCTSKPTPN1ACE
SCHEMBL277567 0.80 SCN9A (0.43) SCN9ACTSSCTSKACESCN10A
SCHEMBL267770 0.80 SCN9A (0.40) SCN9ACTSSCTSKPTPN1ACE
SCHEMBL277718 0.78 SCN9A (0.41) SCN9ACTSSCTSKPTPN1ACE
SCHEMBL268932 0.78 ANO1 (0.43) SCN9ACTSSCTSKPTPN1ACE
SCHEMBL270332 0.77 SCN9A (0.49) SCN9ACTSSCTSKACESCN10A

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.