SCHEMBL268240

SCHEMBL268240

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
KLK5 Q9Y337 3/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTPN1 P18031 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDR P35968 3/20 0.33
FLT1 P17948 1/20 0.33
ANO1 Q5XXA6 4/20 0.33
AAK1 Q2M2I8 1/20 0.33
SYK P43405 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAPT P10636 1/20 0.32

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) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL269081 0.92 ANO1 (0.41) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL270683 0.92 HTT (0.37) KLK5SMN1; SMN2ANO1AAK1MAPT
SCHEMBL268189 0.90 ALOX5AP (0.37) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL268318 0.90 CTSS (0.44) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL268317 0.90 CTSS (0.44) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL269043 0.88 S1PR3 (0.37) SCN9AKLK5CTSSCTSKSCN10A
SCHEMBL268520 0.86 KLK5 (0.41) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL267788 0.86 ALOX5AP (0.38) SMN1; SMN2ANO1SYKALOX5APFEN1
SCHEMBL269138 0.85 KLK5 (0.43) KLK5CTSSCTSKSMN1; SMN2ANO1

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 1412/4885KLK5 3015/4885CTSS 1680/4885

“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.