SCHEMBL8515015

SCHEMBL8515015

CC(C)CC(C(=O)O)n1ccc(Oc2c(F)cccc2F)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
MCL1 Q07820 2/20 0.39
HIF1A Q16665 1/20 0.38
GCK P35557 1/20 0.37
PTGS1 P23219 2/20 0.36
PPARG P37231 1/20 0.36
BCL2 P10415 2/20 0.35
BCL2L2 Q92843 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL935524 0.88 HIF1A (0.40) PTGS2MCL1HIF1APTGS1PPARG
SCHEMBL8515249 0.87 LPAR1 (0.41) PTGS2MCL1HIF1AGCKPPARG
SCHEMBL8514743 0.86 MCL1 (0.43) PTGS2MCL1HIF1APTGS1PPARG
SCHEMBL8514936 0.84 MCL1 (0.53) MCL1PTGS1BCL2BCL2L2
SCHEMBL8515326 0.83 MCL1 (0.45) PTGS2MCL1HIF1A
SCHEMBL8513874 0.82 HIF1A (0.39) PTGS2MCL1HIF1APPARG
SCHEMBL8513539 0.82 HIF1A (0.39) PTGS2MCL1HIF1AGCKPPARG
SCHEMBL955080 0.81 GCK (0.46) GCK
SCHEMBL2657088 0.80 MCL1 (0.36) PTGS2MCL1HIF1AGCKPTGS1
SCHEMBL1008308 0.80 MCL1 (0.36) PTGS2MCL1HIF1AGCKPTGS1

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 PTGS2 978/4885MCL1 4634/4885HIF1A 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.