SCHEMBL2012329

SCHEMBL2012329

O=C(O)CN(Cc1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1)C(=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 10/20 0.52
PPARA Q07869 2/20 0.46
SLC2A1 P11166 2/20 0.44
SIRT2 Q8IXJ6 3/20 0.43
SIRT3 Q9NTG7 3/20 0.43
SIRT1 Q96EB6 2/20 0.43
PKM P14618 1/20 0.42
SLC2A4 P14672 1/20 0.41
NR4A2 P43354 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2009589 0.86 GYS1 (0.72) GYS1SLC2A1SLC2A4
SCHEMBL2012650 0.85 GYS1 (0.53) GYS1PPARA
SCHEMBL2009949 0.82 GYS1 (0.53) GYS1PPARA
SCHEMBL2011587 0.81 GYS1 (0.75) GYS1PPARANR4A2
SCHEMBL2009810 0.80 GYS1 (0.69) GYS1PPARANR4A2
SCHEMBL2009950 0.80 GYS1 (0.53) GYS1PPARA
SCHEMBL2013796 0.77 GYS1 (0.59) GYS1PPARANR4A2
SCHEMBL2010695 0.77 GYS1 (0.52) GYS1PPARARAB9A
SCHEMBL2010369 0.77 GYS1 (0.82) GYS1
Trifluoroacetic Acid SCHEMBL17505933 0.76 GYS1 (0.55) GYS1PPARARAB9A

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
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO claimed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 US claimed
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 US disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 US disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 US 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-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL GYS1 2/4885PPARA 299/4885SLC2A1 105/4885

“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.