SCHEMBL268772

SCHEMBL268772

CC(C)(C)NC(=O)c1cccnc1CC(O)C(Cc1cc(F)ccc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.44
SCN10A Q9Y5Y9 3/20 0.44
CYP3A4 P08684 1/20 0.44
ANO1 Q5XXA6 3/20 0.42
SGMS2 Q8NHU3 1/20 0.38
AAK1 Q2M2I8 4/20 0.36
KLK5 Q9Y337 2/20 0.35
MAPK8 P45983 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL268704 0.92 SCN9A (0.43) SCN9ASCN10ACYP3A4ANO1AAK1
SCHEMBL268823 0.92 KLK5 (0.36) SCN9ASCN10ACYP3A4ANO1SGMS2
SCHEMBL269942 0.89 SCN9A (0.39) SCN9ASCN10ACYP3A4ANO1AAK1
SCHEMBL269081 0.88 ANO1 (0.41) SCN9ASCN10AANO1KLK5CTSS
SCHEMBL269043 0.87 S1PR3 (0.37) SCN9ASCN10ACYP3A4ANO1KLK5
SCHEMBL268318 0.85 CTSS (0.44) SCN9ASCN10ACYP3A4ANO1KLK5
SCHEMBL268317 0.85 CTSS (0.44) SCN9ASCN10ACYP3A4ANO1KLK5
SCHEMBL267895 0.85 ANO1 (0.46) SCN9ASCN10ACYP3A4ANO1SGMS2
SCHEMBL270332 0.85 SCN9A (0.49) SCN9ASCN10ACYP3A4ANO1SGMS2
Hydrochloric Acid SCHEMBL4094841 0.85 ANO1 (0.45) SCN9ASCN10ACYP3A4ANO1SGMS2

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 SCN9A 1412/4885SCN10A 461/4885CYP3A4 21/4885

“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.