SCHEMBL3565441

SCHEMBL3565441

CCOC(=O)C1CCCCN1C(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.75
NPC1 O15118 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 7/20 0.53
POLB P06746 5/20 0.53
RAB9A P51151 5/20 0.53
MEN1 O00255 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FKBP1A P62942 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
SCHEMBL3560136 0.89 GYS1 (0.94) GYS1NPC1ALDH1A1MAPTHPGD
SCHEMBL3564293 0.88 GYS1 (0.82) GYS1NPC1ALDH1A1MAPTHPGD
SCHEMBL3561659 0.86 GYS1 (1.00) GYS1NPC1ALDH1A1MAPTHPGD
SCHEMBL3564920 0.86 GYS1 (1.00) GYS1NPC1ALDH1A1MAPTHPGD
SCHEMBL13059119 0.86 GYS1 (1.00) GYS1NPC1ALDH1A1MAPTHPGD
SCHEMBL13059189 0.85 GYS1 (0.78) GYS1NPC1ALDH1A1MAPTHPGD
SCHEMBL3456792 0.74 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL13059134 0.73 GYS1 (0.69) GYS1
SCHEMBL3768357 0.73 GYS1 (0.69) GYS1
SCHEMBL6788224 0.72 FKBP1A (0.61) GYS1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 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
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-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 (3 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 GYS1 2/4885NPC1 1101/4885ALDH1A1 414/4885
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 GYS1 3/4885NPC1 1670/4885ALDH1A1 499/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 GYS1 3/4885NPC1 1670/4885ALDH1A1 499/4885

“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.