SCHEMBL268189

SCHEMBL268189

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
SCN9A Q15858 5/20 0.36
ANO1 Q5XXA6 4/20 0.35
KLK5 Q9Y337 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PTPN1 P18031 1/20 0.34
CCR2 P41597 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CETP P11597 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 0.91 SCN9A (0.43) ALOX5APFEN1SCN9AANO1KLK5
SCHEMBL269081 0.90 ANO1 (0.41) SCN9AANO1KLK5CTSSCTSK
SCHEMBL268240 0.90 SCN9A (0.36) ALOX5APFEN1SCN9AANO1KLK5
SCHEMBL268318 0.88 CTSS (0.44) SCN9AANO1KLK5SMN1; SMN2LMNA
SCHEMBL268317 0.88 CTSS (0.44) SCN9AANO1KLK5SMN1; SMN2LMNA
SCHEMBL269043 0.86 S1PR3 (0.37) SCN9AANO1KLK5SMN1; SMN2CTSS
SCHEMBL269409 0.86 ALOX5AP (0.42) ALOX5APFEN1ANO1SMN1; SMN2LMNA
SCHEMBL269942 0.85 SCN9A (0.39) SCN9AANO1KLK5CTSSCTSK
SCHEMBL267770 0.85 SCN9A (0.40) ALOX5APFEN1SCN9AANO1CTSS
SCHEMBL268520 0.85 KLK5 (0.41) ALOX5APFEN1SCN9AKLK5SMN1; SMN2

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 ALOX5AP 3715/4885FEN1 3118/4885SCN9A 1412/4885

“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.