SCHEMBL268613

SCHEMBL268613

CO[C@@H](Cc1ncccc1C(=O)NC(C)(C)C)[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SCN9A Q15858 13/20 0.40
SCN10A Q9Y5Y9 3/20 0.40
PTPN1 P18031 1/20 0.39
LMNA P02545 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
CYP3A4 P08684 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL268614 1.00 CTSS (0.43) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL268318 0.90 CTSS (0.44) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL268317 0.90 CTSS (0.44) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL268086 0.84 LMNA (0.43) LMNAANO1SMN1; SMN2NPC1GLA
SCHEMBL268422 0.82 CTSS (0.51) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL270554 0.81 CTSS (0.45) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL270553 0.81 CTSS (0.45) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL267858 0.81 CTSS (0.48) CTSSCTSKSCN9ASCN10APTPN1
SCHEMBL4928298 0.81 CTSS (0.43) CTSSCTSKSCN9APTPN1ANO1
SCHEMBL4928293 0.81 CTSS (0.43) CTSSCTSKSCN9APTPN1ANO1

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 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.