SCHEMBL4452381

SCHEMBL4452381

O=C(O)c1cccc(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.92

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.92
TP53 P04637 2/20 0.64
PKM P14618 2/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
NR4A2 P43354 2/20 0.60

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
SCHEMBL22480820 0.96 MRGPRX4 (1.00) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL1756369 0.86 MRGPRX4 (0.81) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL4447958 0.86 MRGPRX4 (0.72) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22480887 0.83 MRGPRX4 (1.00) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3557661 0.83 MRGPRX4 (0.92) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22481084 0.83 MRGPRX4 (1.00) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3564078 0.83 MRGPRX4 (0.72) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3565096 0.83 MRGPRX4 (0.92) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3564888 0.83 MRGPRX4 (0.92) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3745780 0.82 AURKA (0.67) MRGPRX4SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US 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 1701/4885TP53 3823/4885PKM 399/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A MRGPRX4 1701/4885TP53 3823/4885PKM 399/4885

“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.