SCHEMBL8513874

SCHEMBL8513874

CC(C)CC(C(=O)O)n1ccc(Oc2ccc(F)cc2F)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
S1PR2 O95136 1/20 0.38
MAPK14 Q16539 2/20 0.38
SCN4A P35499 1/20 0.38
BRD4 O60885 4/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.36
MCL1 Q07820 2/20 0.36
HSPB1 P04792 1/20 0.36
PTGS2 P35354 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
GHSR Q92847 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL8513539 0.91 HIF1A (0.39) HIF1AMAPK14KMT2APPARGMCL1
SCHEMBL8515249 0.90 LPAR1 (0.41) HIF1AKMT2APPARGMCL1PTGS2
SCHEMBL8515326 0.86 MCL1 (0.45) HIF1AS1PR2MCL1PTGS2
SCHEMBL935524 0.86 HIF1A (0.40) HIF1AKMT2APPARGMCL1PTGS2
SCHEMBL8514743 0.84 MCL1 (0.43) HIF1AHPGDPPARGMCL1PTGS2
SCHEMBL957091 0.82 GCK (0.44) SCN4ABRD4KMT2A
SCHEMBL8515015 0.82 PTGS2 (0.40) HIF1APPARGMCL1PTGS2
SCHEMBL8514582 0.82 MCL1 (0.41) S1PR2KMT2APPARGMCL1PTGS2
SCHEMBL8515253 0.82 KMT2A (0.51) BRD4MEN1MAPTKMT2AL3MBTL1
SCHEMBL8515246 0.81 MCL1 (0.41) MEN1KMT2AL3MBTL1MCL1PTGS2

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 6 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

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 3028/4885S1PR2 2917/4885MAPK14 726/4885

“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.