SCHEMBL2013732

SCHEMBL2013732

COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(CN(CC(=O)O)C(=O)C3CCC3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 19/20 1.00
TSHR P16473 1/20 0.45

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
SCHEMBL2010938 0.97 GYS1 (0.93) GYS1TSHR
SCHEMBL2030875 0.92 GYS1 (0.85) GYS1
SCHEMBL2012919 0.90 GYS1 (0.81) GYS1
SCHEMBL2033026 0.88 GYS1 (0.79) GYS1
SCHEMBL2013503 0.88 GYS1 (0.79) GYS1
SCHEMBL2012277 0.88 GYS1 (0.79) GYS1
SCHEMBL2010280 0.87 GYS1 (0.84) GYS1
SCHEMBL2010828 0.87 GYS1 (0.80) GYS1
SCHEMBL2010799 0.86 GYS1 (1.00) GYS1
SCHEMBL2010369 0.85 GYS1 (0.82) GYS1TSHR

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 2/4885TSHR 3535/4885

“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.