SCHEMBL935985

SCHEMBL935985

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
NR3C2 P08235 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PPARG P37231 1/20 0.35
P2RX3 P56373 1/20 0.34
MCL1 Q07820 1/20 0.34
MAP2K1 Q02750 1/20 0.34
BTK Q06187 2/20 0.33
GCK P35557 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL935524 0.91 HIF1A (0.40) HIF1AEGLN1PPARGMCL1BTK
SCHEMBL8515249 0.82 LPAR1 (0.41) HIF1APPARGMCL1GCKKMT2A
SCHEMBL956376 0.82 GCK (0.44) HIF1AGCK
SCHEMBL935745 0.82 NR3C2 (0.34) HIF1ANR3C2
SCHEMBL8515015 0.78 PTGS2 (0.40) HIF1APPARGMCL1GCK
SCHEMBL8513539 0.77 HIF1A (0.39) HIF1APPARGP2RX3MCL1GCK
SCHEMBL8513874 0.77 HIF1A (0.39) HIF1APPARGMCL1MAPTKMT2A
SCHEMBL8515253 0.76 KMT2A (0.51) MCL1TP53MAPTKMT2A
SCHEMBL935579 0.74 MAPK14 (0.48) KMT2A
SCHEMBL8514582 0.74 MCL1 (0.41) PPARGMCL1GCKKMT2A

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 HIF1A 3028/4885NR3C2 2919/4885EGLN1 2817/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD HIF1A 3028/4885NR3C2 2919/4885EGLN1 2817/4885

“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.