SCHEMBL3564550

SCHEMBL3564550

O=C(O)c1cccc(COc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.74
KCNH2 Q12809 1/20 0.56
PDE5A O76074 6/20 0.54
MCL1 Q07820 3/20 0.53
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
PTGER4 P35408 1/20 0.48

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
SCHEMBL11188667 0.91 MRGPRX4 (0.78) MRGPRX4KCNH2PDE5APDE1APDE1B
SCHEMBL22481085 0.85 MRGPRX4 (1.00) MRGPRX4KCNH2PDE5APDE1APDE1B
SCHEMBL27703908 0.85 MRGPRX4 (0.74) MRGPRX4KCNH2PDE5APDE1APDE1B
SCHEMBL22480814 0.84 MRGPRX4 (0.68) MRGPRX4KCNH2PDE5AGPBAR1
SCHEMBL4444817 0.84 MRGPRX4 (0.64) MRGPRX4KCNH2PDE5AMCL1PDE1A
SCHEMBL14310387 0.84 MRGPRX4 (0.60) MRGPRX4KCNH2PDE5AMCL1PDE1A
SCHEMBL4442894 0.83 MRGPRX4 (0.59) MRGPRX4KCNH2PDE5APDE1APDE1B
SCHEMBL4444245 0.82 MRGPRX4 (0.58) MRGPRX4KCNH2MCL1PTGER4
SCHEMBL3562475 0.82 MRGPRX4 (0.58) MRGPRX4KCNH2PDE5AMCL1PDE1A
SCHEMBL14261223 0.80 PTPN1 (0.51) MRGPRX4PDE5AMCL1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US claimed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 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
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 MRGPRX4 2501/4885KCNH2 4529/4885PDE5A 1620/4885
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 MRGPRX4 1798/4885KCNH2 4614/4885PDE5A 1351/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 MRGPRX4 1798/4885KCNH2 4614/4885PDE5A 1351/4885

“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.