Sugi Predict

Sugi Predict / Compounds / SCHEMBL3559025

SCHEMBL3559025

SCHEMBL3559025

O=C(O)c1ccc(COc2ccc(-c3ccc(Cl)cc3)cc2)o1

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.91
▸ HSD17B10 Q99714 2/20 0.91
▸ POLB P06746 5/20 0.69
▸ NPC1 O15118 8/20 0.68
▸ RAB9A P51151 8/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.67
▸ MEN1 O00255 2/20 0.62
▸ MRGPRX4 Q96LA9 1/20 0.61
▸ PTGER4 P35408 1/20 0.61
▸ HSP90AA1 P07900 1/20 0.59
▸ NR4A2 P43354 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPT P10636 1/20 0.54

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
SCHEMBL1756442 0.88 POLB (0.73) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL3571608 0.86 POLB (0.69) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL14310381 0.86 POLB (0.69) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL1756431 0.86 NPC1 (0.72) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL6815339 0.82 POLB (0.77) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL3565936 0.81 MAPT (0.70) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL3229701 0.81 POLB (0.75) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL6814497 0.81 POLB (0.75) SMN1; SMN2HSD17B10POLBNPC1RAB9A
SCHEMBL12443393 0.80 NPC1 (0.75) SMN1; SMN2HSD17B10NPC1RAB9AKMT2A
SCHEMBL6814360 0.79 NPC1 (0.76) SMN1; SMN2HSD17B10POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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 SMN1; SMN2 1436/4885HSD17B10 123/4885POLB 1527/4885
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 SMN1; SMN2 1961/4885HSD17B10 93/4885POLB 1685/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 SMN1; SMN2 1961/4885HSD17B10 93/4885POLB 1685/4885

“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.