SCHEMBL268317

SCHEMBL268317

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SCN9A Q15858 9/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
CCR1 P32246 1/20 0.38
KLK5 Q9Y337 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL268318 1.00 CTSS (0.44) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL270554 0.92 CTSS (0.45) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL270553 0.92 CTSS (0.45) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL268704 0.91 SCN9A (0.43) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL269380 0.90 KLK5 (0.38) CTSSCTSKSCN9ALMNAANO1
SCHEMBL269379 0.90 KLK5 (0.38) CTSSCTSKSCN9ALMNAANO1
SCHEMBL267858 0.90 CTSS (0.48) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL269081 0.90 ANO1 (0.41) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL268240 0.90 SCN9A (0.36) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL268613 0.90 CTSS (0.43) CTSSCTSKSCN9ASCN10APTPN1

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 CTSS 1680/4885CTSK 2589/4885SCN9A 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.