SCHEMBL4444817

SCHEMBL4444817

O=C(O)c1cccc(COc2ccc(-c3cccs3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.64
FFAR1 O14842 2/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PDE5A O76074 6/20 0.46
PDE1A P54750 2/20 0.45
PDE1B Q01064 2/20 0.45
PDE1C Q14123 2/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KCNH2 Q12809 1/20 0.44
MCL1 Q07820 1/20 0.42

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
SCHEMBL3564550 0.84 MRGPRX4 (0.74) MRGPRX4PDE5APDE1APDE1BPDE1C
SCHEMBL11188667 0.81 MRGPRX4 (0.78) MRGPRX4KDM4EPDE5APDE1APDE1B
SCHEMBL27703908 0.79 MRGPRX4 (0.74) MRGPRX4KDM4EPDE5APDE1APDE1B
SCHEMBL22481085 0.79 MRGPRX4 (1.00) MRGPRX4PDE5APDE1APDE1BPDE1C
SCHEMBL22480814 0.75 MRGPRX4 (0.68) MRGPRX4PDE5AKCNH2
SCHEMBL14310387 0.75 MRGPRX4 (0.60) MRGPRX4PDE5APDE1APDE1BPDE1C
SCHEMBL4442894 0.74 MRGPRX4 (0.59) MRGPRX4FFAR1PDE5APDE1APDE1B
SCHEMBL3562475 0.73 MRGPRX4 (0.58) MRGPRX4PDE5APDE1APDE1BPDE1C
SCHEMBL4444245 0.73 MRGPRX4 (0.58) MRGPRX4SMN1; SMN2KCNH2MCL1
SCHEMBL1723830 0.72 FFAR1 (0.59) FFAR1KDM4ECYP1A2CYP2C19SMN1; SMN2

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 13 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
EP-1819691-A2 BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS F. Hoffmann-Roche AG (CH) 2007-08-22 EP claimed
WO-2006058648-A2 BIARYLOXYMETHYLARENE CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO 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 MRGPRX4 1701/4885FFAR1 472/4885KDM4E 2587/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A MRGPRX4 1701/4885FFAR1 472/4885KDM4E 2587/4885

“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.