SCHEMBL8516044

SCHEMBL8516044

CC(C)CC(C(=O)O)n1ccc(Oc2ccccc2OC(F)(F)F)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
MCL1 Q07820 1/20 0.39
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
BCL2 P10415 3/20 0.35
BCL2L2 Q92843 3/20 0.35
RORC P51449 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PTGS2 P35354 2/20 0.34
F11 P03951 1/20 0.34
KCNK3 O14649 2/20 0.34
KCNK9 Q9NPC2 2/20 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
SCHEMBL8516017 0.87 PPARG (0.40) MCL1KMT2AFFAR1BCL2BCL2L2
SCHEMBL8515253 0.87 KMT2A (0.51) MCL1KMT2ABCL2BCL2L2
SCHEMBL8515249 0.86 LPAR1 (0.41) HIF1AMCL1KMT2ABCL2BCL2L2
SCHEMBL8514582 0.84 MCL1 (0.41) MCL1KMT2AFFAR1BCL2BCL2L2
SCHEMBL8515246 0.84 MCL1 (0.41) MCL1KMT2ABCL2BCL2L2PTGS2
SCHEMBL8512988 0.84 MCL1 (0.41) HIF1AMCL1KMT2AFFAR1BCL2
SCHEMBL960166 0.83 GCK (0.43) HIF1AF11
SCHEMBL8514936 0.83 MCL1 (0.53) MCL1KMT2AFFAR1BCL2BCL2L2
SCHEMBL8515261 0.83 MCL1 (0.40) MCL1KMT2AFFAR1BCL2BCL2L2
SCHEMBL935524 0.82 HIF1A (0.40) HIF1AMCL1KMT2ABCL2BCL2L2

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
CN-102471322-A Pyridone glucokinase activators HOFFMANN LA ROCHE 2012-05-23 CN 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
CN-102471322-A Pyridone glucokinase activators HOFFMANN LA ROCHE 2012-05-23 CN 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD HIF1A 3028/4885MCL1 4634/4885KMT2A 3422/4885

“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.