SCHEMBL4446197

SCHEMBL4446197

O=C(O)c1csc(COc2ccc(-c3cccc(-c4ccccc4)c3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.53
MMP2 P08253 6/20 0.53
MMP1 P03956 4/20 0.53
MMP9 P14780 4/20 0.53
MAPT P10636 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
MCL1 Q07820 3/20 0.50
HSP90AA1 P07900 1/20 0.49
LIPG Q9Y5X9 1/20 0.48
KMO O15229 1/20 0.46
LDHA P00338 1/20 0.46

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
SCHEMBL3568125 0.95 MAPT (0.56) MMP13MMP2MMP1MMP9MAPT
SCHEMBL3569948 0.91 MRGPRX4 (0.52) MMP13MMP2MMP1MMP9MAPT
SCHEMBL4440872 0.90 MMP13 (0.52) MMP13MMP2MMP1MMP9MAPT
SCHEMBL4440854 0.89 MAPT (0.46) MMP13MMP2MMP1MMP9MAPT
SCHEMBL4444727 0.88 MMP13 (0.50) MMP13MMP2MMP1MMP9MAPT
SCHEMBL3348750 0.87 MAPT (0.58) MMP13MMP2MMP1MMP9MAPT
SCHEMBL4444299 0.86 MAPT (0.49) MMP13MMP2MMP1MMP9MAPT
SCHEMBL3560701 0.85 MAPT (0.54) MMP13MMP2MMP1MMP9MAPT
SCHEMBL3556746 0.85 MAPT (0.72) MMP13MMP2MMP1MMP9MAPT
SCHEMBL3558198 0.85 MAPT (0.67) MMP13MMP2MMP1MMP9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US claimed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US claimed
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
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 MMP13 1293/4885MMP2 968/4885MMP1 2247/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A MMP13 1293/4885MMP2 968/4885MMP1 2247/4885

“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.