SCHEMBL8512988

SCHEMBL8512988

CC(C)CC(C(=O)O)n1ccc(Oc2ccccc2Cl)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.41
XIAP P98170 1/20 0.40
HIF1A Q16665 1/20 0.39
CXCL8 P10145 1/20 0.38
KMT2A Q03164 1/20 0.38
BCL2 P10415 2/20 0.37
BCL2L2 Q92843 2/20 0.37
FFAR1 O14842 1/20 0.37
CAMK2A Q9UQM7 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 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
SCHEMBL8516208 0.90 MCL1 (0.38) MCL1KMT2ABCL2BCL2L2FFAR1
SCHEMBL8514582 0.87 MCL1 (0.41) MCL1KMT2ABCL2BCL2L2FFAR1
SCHEMBL8515253 0.87 KMT2A (0.51) MCL1KMT2ABCL2BCL2L2LPAR1
SCHEMBL8515246 0.86 MCL1 (0.41) MCL1KMT2ABCL2BCL2L2
SCHEMBL8515249 0.86 LPAR1 (0.41) MCL1HIF1ACXCL8KMT2ABCL2
SCHEMBL8514936 0.86 MCL1 (0.53) MCL1KMT2ABCL2BCL2L2FFAR1
SCHEMBL8515261 0.85 MCL1 (0.40) MCL1KMT2ABCL2BCL2L2FFAR1
SCHEMBL8513005 0.84 BCL2L1 (0.42) MCL1KMT2A
SCHEMBL8516017 0.84 PPARG (0.40) MCL1KMT2ABCL2BCL2L2FFAR1
SCHEMBL8516044 0.84 HIF1A (0.42) MCL1HIF1AKMT2ABCL2BCL2L2

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 4634/4885XIAP 4665/4885HIF1A 3028/4885

“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.