SCHEMBL8515326

SCHEMBL8515326

CC(C)CC(C(=O)O)n1ccc(Oc2ccc(F)cc2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.45
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PTGS2 P35354 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SCN9A Q15858 2/20 0.37
FPR2 P25090 1/20 0.37
S1PR2 O95136 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 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) MCL1ALDH1A1
SCHEMBL8514743 0.88 MCL1 (0.43) MCL1PPARAPTGS2HIF1A
SCHEMBL8513539 0.86 HIF1A (0.39) MCL1PTGS2HIF1A
SCHEMBL8513874 0.86 HIF1A (0.39) MCL1PTGS2S1PR2HIF1A
SCHEMBL8515249 0.85 LPAR1 (0.41) MCL1PPARAPTGS2LPAR1HIF1A
SCHEMBL8515015 0.83 PTGS2 (0.40) MCL1PTGS2HIF1A
SCHEMBL935524 0.83 HIF1A (0.40) MCL1PTGS2TDP1HIF1A
SCHEMBL8514582 0.81 MCL1 (0.41) MCL1PTGS2LPAR1S1PR2
SCHEMBL8515253 0.81 KMT2A (0.51) MCL1LPAR1ALDH1A1
SCHEMBL955209 0.81 GCK (0.47) SCN9A

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 7 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
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 4634/4885PPARD 467/4885PPARA 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.