SCHEMBL935524

SCHEMBL935524

CC(C)CC(C(=O)O)n1ccc(Oc2cccc(F)c2F)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
PPARG P37231 1/20 0.38
MCL1 Q07820 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BTK Q06187 2/20 0.34
BCL2 P10415 1/20 0.34
BCL2L2 Q92843 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
SCHEMBL8515249 0.91 LPAR1 (0.41) HIF1APPARGMCL1PTGS2KMT2A
SCHEMBL935985 0.91 HIF1A (0.39) HIF1APPARGMCL1EGLN1KMT2A
SCHEMBL8515015 0.88 PTGS2 (0.40) HIF1APPARGMCL1PTGS2PTGS1
SCHEMBL8513874 0.86 HIF1A (0.39) HIF1APPARGMCL1PTGS2KMT2A
SCHEMBL8513539 0.86 HIF1A (0.39) HIF1APPARGMCL1PTGS2KMT2A
SCHEMBL8514582 0.83 MCL1 (0.41) PPARGMCL1PTGS2KMT2ABCL2
SCHEMBL8515253 0.83 KMT2A (0.51) MCL1KMT2ABCL2BCL2L2
SCHEMBL8514743 0.83 MCL1 (0.43) HIF1APPARGMCL1PTGS2PTGS1
SCHEMBL8515326 0.83 MCL1 (0.45) HIF1AMCL1PTGS2TDP1
SCHEMBL8513005 0.83 BCL2L1 (0.42) MCL1KMT2ATDP1

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 8 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US claimed
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP 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
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 HIF1A 3028/4885PPARG 152/4885MCL1 4634/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD HIF1A 3028/4885PPARG 152/4885MCL1 4634/4885

“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.