SCHEMBL3557950

SCHEMBL3557950

O=C(O)c1csc(COc2ccc(-c3ccccc3)cc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MRGPRX4 Q96LA9 3/20 0.47
PTGER1 P34995 1/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
LIPG Q9Y5X9 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMO O15229 3/20 0.43

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
SCHEMBL4675225 0.84 MAPT (0.45) MAPTNPC1RAB9AMRGPRX4PTGER1
SCHEMBL4446197 0.82 MMP13 (0.53) MAPTNPC1RAB9AMMP1MMP2
SCHEMBL3568125 0.81 MAPT (0.56) MAPTNPC1RAB9AMMP1MMP2
SCHEMBL3569948 0.81 MRGPRX4 (0.52) MAPTNPC1RAB9AMRGPRX4MMP1
SCHEMBL4727539 0.80 MMP1 (0.49) MAPTNPC1RAB9APTGER1MMP1
SCHEMBL13816246 0.77 MAPT (0.55) MAPTNPC1RAB9AMMP1MMP2
SCHEMBL3556746 0.77 MAPT (0.72) MAPTNPC1RAB9AMRGPRX4MMP1
SCHEMBL3348750 0.76 MAPT (0.58) MAPTNPC1RAB9AMMP1MMP2
SCHEMBL13162595 0.75 NPC1 (0.52) MAPTNPC1RAB9APTGER1MMP1
SCHEMBL4440872 0.75 MMP13 (0.52) MAPTNPC1RAB9AMMP1MMP2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US claimed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1663936-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP claimed
WO-2005000781-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040266856-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE AG 2004-12-30 US claimed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1663936-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
WO-2005000781-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266856-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE AG 2004-12-30 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-20040266856-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator GYS2, GYS1, PYGL MAPT 3129/4885NPC1 1101/4885RAB9A 4007/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 MAPT 3141/4885NPC1 1670/4885RAB9A 4229/4885

“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.