SCHEMBL269147

SCHEMBL269147

CC(=O)Nc1cccnc1C[C@H](O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.45
SCN10A Q9Y5Y9 5/20 0.38
CYP3A4 P08684 3/20 0.38
KLK5 Q9Y337 2/20 0.37
MAPT P10636 1/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
PTPN1 P18031 1/20 0.35
ATM Q13315 1/20 0.35
P2RY1 P47900 2/20 0.35
METAP1 P53582 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 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
SCHEMBL269148 1.00 SCN9A (0.45) SCN9ASCN10ACYP3A4KLK5MAPT
SCHEMBL270467 0.84 SCN9A (0.50) SCN9ASCN10ACYP3A4MAPTCTSS
SCHEMBL268704 0.84 SCN9A (0.43) SCN9ASCN10ACYP3A4KLK5CTSS
SCHEMBL4119170 0.82 MAPT (0.39) MAPTATMP2RY1
SCHEMBL269091 0.82 MAPT (0.39) MAPTATMP2RY1
Hydrochloric Acid SCHEMBL270688 0.82 MAPT (0.39) MAPTATMP2RY1
SCHEMBL495865 0.77 KLK5 (0.43) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL495863 0.77 KLK5 (0.43) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL496196 0.76 SCN9A (0.42) SCN9AKLK5CTSSCTSKPTPN1
SCHEMBL496197 0.76 SCN9A (0.42) SCN9AKLK5CTSSCTSKPTPN1

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.