SCHEMBL2012650

SCHEMBL2012650

O=C(O)CN(Cc1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1)C(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 11/20 0.53
PPARA Q07869 3/20 0.47
FFAR1 O14842 4/20 0.42
MAOB P27338 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CYP2C9 P11712 1/20 0.41
PPARG P37231 1/20 0.41
KCNH2 Q12809 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
SCHEMBL2009949 0.85 GYS1 (0.53) GYS1PPARAFFAR1MAOB
SCHEMBL2012329 0.85 GYS1 (0.52) GYS1PPARA
SCHEMBL2011587 0.82 GYS1 (0.75) GYS1PPARAFFAR1MAOBFFAR4
SCHEMBL2009810 0.81 GYS1 (0.69) GYS1PPARAFFAR1MAOBFFAR4
SCHEMBL2009950 0.81 GYS1 (0.53) GYS1PPARAFFAR1MAOBFFAR4
SCHEMBL2013796 0.79 GYS1 (0.59) GYS1PPARAFFAR1MAOBMMP13
SCHEMBL2010695 0.78 GYS1 (0.52) GYS1PPARAMAOBPPARG
SCHEMBL2010321 0.76 GYS1 (0.46) GYS1PPARAFFAR1MAOB
SCHEMBL2009393 0.74 GYS1 (0.72) GYS1PPARAPPARG
SCHEMBL2010369 0.74 GYS1 (0.82) GYS1

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 299/4885FFAR1 358/4885

“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.