SCHEMBL959088

SCHEMBL959088

CC(C)CC(C(=O)Nc1ccn(C)n1)n1ccc(Oc2ccccc2-c2ccccc2)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.46
IDH2 P48735 1/20 0.39
NOTUM Q6P988 1/20 0.38
CTSD P07339 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL955972 0.89 NOTUM (0.48) GCKNOTUMCTSDLMNAALDH1A1
SCHEMBL958752 0.89 GCK (0.46) GCKNOTUMBRD4
SCHEMBL956574 0.89 GCK (0.48) GCKNOTUMCTSDLMNAALDH1A1
SCHEMBL955909 0.88 GCK (0.45) GCKNOTUMLMNAALDH1A1
SCHEMBL958722 0.88 GCK (0.45) GCKNOTUM
SCHEMBL955304 0.88 GCK (0.45) GCKNOTUMCTSDLMNAALDH1A1
SCHEMBL958871 0.86 GCK (0.44) GCKNOTUMMMP1MMP3MMP9
SCHEMBL960166 0.86 GCK (0.43) GCKIDH2NOTUMCTSD
SCHEMBL958784 0.86 GCK (0.43) GCKIDH2NOTUM
SCHEMBL956376 0.85 GCK (0.44) GCKNOTUM

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 10 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 claimed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US claimed
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
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US 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
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 GCK 1/4885IDH2 389/4885NOTUM 2438/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GCK 1/4885IDH2 389/4885NOTUM 2438/4885

“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.