SCHEMBL4454103

SCHEMBL4454103

CCOC(=O)c1csc(COc2ccc(I)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.80
RAB9A P51151 6/20 0.80
NPC1 O15118 5/20 0.80
HSP90AA1 P07900 2/20 0.80
MMP13 P45452 7/20 0.54
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PLA2G4A P47712 1/20 0.47
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 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
SCHEMBL7071567 0.89 MAPT (1.00) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL15972463 0.87 MAPT (0.79) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL18003076 0.85 MAPT (0.76) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL2011674 0.80 MAPT (0.67) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL9049845 0.80 MAPT (0.67) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL2435873 0.78 MAPT (0.69) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL2838509 0.78 RAB9A (0.62) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL2115567 0.77 MAPT (0.64) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL1756448 0.77 MAPT (0.69) MAPTRAB9ANPC1HSP90AA1MMP13
SCHEMBL1246735 0.76 RAB9A (0.64) MAPTRAB9ANPC1HSP90AA1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
EP-1819691-A2 BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS F. Hoffmann-Roche AG (CH) 2007-08-22 EP disclosed
WO-2006058648-A2 BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 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 (2 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A MAPT 2951/4885RAB9A 4301/4885NPC1 2787/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A MAPT 2951/4885RAB9A 4301/4885NPC1 2787/4885

“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.