SCHEMBL8515260

SCHEMBL8515260

CC(C)CC(C(=O)O)n1ccc(Oc2cccnc2)cc1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MCL1 Q07820 1/20 0.42
GRM2 Q14416 1/20 0.41
METAP2 P50579 1/20 0.39
PPARG P37231 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
P2RX3 P56373 3/20 0.37
NTSR1 P30989 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
GCK P35557 1/20 0.37

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 0.87 MCL1 (0.53) LMNAMCL1P2RX3
SCHEMBL957727 0.83 GCK (0.45) LMNAGRM2MMP1MMP3MMP9
SCHEMBL8514743 0.82 MCL1 (0.43) MCL1PPARGFFAR4P2RX3MMP1
SCHEMBL8515326 0.79 MCL1 (0.45) TDP1MCL1
SCHEMBL8514582 0.77 MCL1 (0.41) MCL1PPARGGCK
SCHEMBL8515253 0.77 KMT2A (0.51) MCL1
SCHEMBL8515015 0.77 PTGS2 (0.40) MCL1PPARGGCK
SCHEMBL21459640 0.76 ALDH1A1 (0.38) MCL1NTSR1MMP1MMP3MMP9
SCHEMBL21459637 0.76 ALDH1A1 (0.38) MCL1NTSR1MMP1MMP3MMP9
SCHEMBL8512988 0.76 MCL1 (0.41) MCL1

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 LMNA 3678/4885TDP1 2582/4885MCL1 4634/4885

“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.