SCHEMBL277941

SCHEMBL277941

Cc1ccccc1CC(NC(=O)OC(C)(C)C)C(=O)Cc1ncccc1C(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.39
SCN9A Q15858 12/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
ACE P12821 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 5/20 0.38
SCN10A Q9Y5Y9 4/20 0.38
JAK2 O60674 2/20 0.38
S1PR4 O95977 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
XBP1 P17861 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.36
TP53 P04637 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
SCHEMBL277671 0.90 SMN1; SMN2 (0.40) ANO1SCN9ACTSSCTSKACE
SCHEMBL268422 0.90 CTSS (0.51) ANO1SCN9ACTSSCTSKCYP3A4
SCHEMBL4632200 0.90 SMN1; SMN2 (0.43) ANO1SMN1; SMN2HPGDHTTALDH1A1
SCHEMBL269166 0.87 ACE (0.40) SCN9ACTSSCTSKACESMN1; SMN2
SCHEMBL269165 0.87 ACE (0.40) SCN9ACTSSCTSKACESMN1; SMN2
SCHEMBL269249 0.86 SCN9A (0.48) ANO1SCN9ACTSSCTSKACE
SCHEMBL277718 0.85 SCN9A (0.41) ANO1SCN9ACTSSCTSKACE
SCHEMBL270332 0.85 SCN9A (0.49) ANO1SCN9ACTSSCTSKACE
SCHEMBL268438 0.84 SCN9A (0.40) ANO1SCN9AACESMN1; SMN2CYP3A4
SCHEMBL277711 0.84 ACE (0.43) ANO1SCN9ACTSSCTSKACE

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 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.