SCHEMBL268932

SCHEMBL268932

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 6/20 0.43
SCN9A Q15858 6/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SCN10A Q9Y5Y9 3/20 0.38
PTPN1 P18031 1/20 0.38
CTSL P07711 1/20 0.37
CYP3A4 P08684 2/20 0.37
ACE P12821 1/20 0.36
MC4R P32245 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL277955 0.94 CTSS (0.40) ANO1SCN9ACTSSCTSKSCN10A
SCHEMBL269249 0.92 SCN9A (0.48) ANO1SCN9ACTSSCTSKSCN10A
SCHEMBL268438 0.92 SCN9A (0.40) ANO1SCN9ASCN10ACTSLCYP3A4
SCHEMBL277718 0.92 SCN9A (0.41) ANO1SCN9ACTSSCTSKSCN10A
SCHEMBL267770 0.90 SCN9A (0.40) ANO1SCN9ACTSSCTSKSCN10A
SCHEMBL268422 0.90 CTSS (0.51) ANO1SCN9ACTSSCTSKSCN10A
SCHEMBL270332 0.88 SCN9A (0.49) ANO1SCN9ACTSSCTSKSCN10A
SCHEMBL278005 0.87 SCN9A (0.45) SCN9ACTSSCTSKPTPN1CTSL
SCHEMBL269012 0.86 PTPN1 (0.42) SCN9ACTSSCTSKPTPN1CTSL
SCHEMBL269081 0.85 ANO1 (0.41) ANO1SCN9ACTSSCTSKSCN10A

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 ANO1 3344/4885SCN9A 1412/4885CTSS 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.