SCHEMBL935579

SCHEMBL935579

COC(=O)C(CC(C)C)n1ccc(OCc2ccccc2)cc1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
MCHR1 Q99705 7/20 0.46
KCNH2 Q12809 1/20 0.46
ADAM17 P78536 2/20 0.45
MMP1 P03956 1/20 0.44
LTA4H P09960 2/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCD O00767 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL16753139 0.89 MAPK14 (0.50) MAPK14MCHR1KCNH2LTA4HKMT2A
SCHEMBL18500627 0.86 MAPK14 (0.52) MAPK14MCHR1KCNH2LTA4HKMT2A
SCHEMBL17504023 0.85 MAPK14 (0.46) MAPK14MCHR1KCNH2LTA4HKMT2A
SCHEMBL4468416 0.81 MAPK14 (0.54) MAPK14MCHR1KCNH2KMT2ASMN1; SMN2
SCHEMBL19470113 0.80 MAPK14 (0.56) MAPK14MCHR1KCNH2KMT2ASMN1; SMN2
SCHEMBL19470112 0.80 MAPK14 (0.56) MAPK14MCHR1KCNH2KMT2ASMN1; SMN2
SCHEMBL936400 0.80 GCK (0.40) ADAM17
SCHEMBL17456364 0.79 MAPK14 (0.61) MAPK14MCHR1KCNH2
SCHEMBL16753163 0.77 MAPK14 (0.47) MAPK14MCHR1KCNH2LTA4HKMT2A
SCHEMBL16753140 0.75 MAPK14 (0.50) MAPK14MCHR1KCNH2KMT2ASMN1; SMN2

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
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
WO-2011009845-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 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 (2 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD MAPK14 726/4885MCHR1 4738/4885KCNH2 1635/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD MAPK14 726/4885MCHR1 4738/4885KCNH2 1635/4885

“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.