SCHEMBL2013796

SCHEMBL2013796

COCC(C)C(=O)N(CC(=O)O)Cc1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 12/20 0.59
PPARA Q07869 3/20 0.48
MAOB P27338 2/20 0.47
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
CYP2C9 P11712 1/20 0.40
PPARG P37231 1/20 0.40
KCNH2 Q12809 1/20 0.40
FFAR1 O14842 1/20 0.40
NR4A2 P43354 1/20 0.39

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
SCHEMBL2013239 0.91 GYS1 (0.57) GYS1PPARAMAOBADAMTS4MMP13
SCHEMBL2032037 0.87 GYS1 (0.77) GYS1
SCHEMBL2011587 0.83 GYS1 (0.75) GYS1PPARAMAOBCYP2C9PPARG
SCHEMBL2009810 0.81 GYS1 (0.69) GYS1PPARAMAOBFFAR1NR4A2
SCHEMBL2010695 0.79 GYS1 (0.52) GYS1PPARAMAOBPPARG
SCHEMBL2012650 0.79 GYS1 (0.53) GYS1PPARAMAOBMMP13CYP2C9
SCHEMBL2009949 0.78 GYS1 (0.53) GYS1PPARAMAOBFFAR1
SCHEMBL2012329 0.77 GYS1 (0.52) GYS1PPARANR4A2
SCHEMBL2009950 0.77 GYS1 (0.53) GYS1PPARAMAOBCYP2C9PPARG
SCHEMBL2015559 0.74 GYS1 (0.84) GYS1FFAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 299/4885MAOB 1010/4885

“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.