SCHEMBL8514743

SCHEMBL8514743

CC(C)CC(C(=O)O)n1ccc(Oc2cccc(F)c2)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
P2RX3 P56373 1/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
HIF1A Q16665 1/20 0.38
MGLL Q99685 1/20 0.38
PTGS2 P35354 1/20 0.37
SLC1A5 Q15758 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL8514936 0.89 MCL1 (0.53) MCL1P2RX3PTGS1FFAR1
SCHEMBL8515326 0.88 MCL1 (0.45) MCL1PPARAHIF1APTGS2
SCHEMBL8515015 0.86 PTGS2 (0.40) MCL1PPARGPTGS1HIF1APTGS2
SCHEMBL8513874 0.84 HIF1A (0.39) MCL1PPARGHPGDHIF1APTGS2
SCHEMBL8513539 0.84 HIF1A (0.39) MCL1PPARGP2RX3HIF1APTGS2
SCHEMBL935524 0.83 HIF1A (0.40) MCL1PPARGPTGS1HIF1APTGS2
SCHEMBL8515249 0.83 LPAR1 (0.41) MCL1PPARGPPARAHIF1APTGS2
SCHEMBL8515260 0.82 LMNA (0.43) MCL1PPARGP2RX3MMP1MMP3
SCHEMBL957680 0.81 GCK (0.46) MMP1MMP3MMP9
SCHEMBL8514582 0.79 MCL1 (0.41) MCL1PPARGPTGS2FFAR1

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 MCL1 4634/4885PPARG 152/4885PPARA 507/4885

“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.