SCHEMBL4446308

SCHEMBL4446308

Cc1nc2cnccc2n1-c1ccc(OCc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.58
TDP2 O95551 1/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HSD17B10 Q99714 1/20 0.48
THRB P10828 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
SCHEMBL9335256 0.91 TDP2 (0.55) MRGPRX4TDP2TP53
SCHEMBL9335480 0.84 DRD1 (0.48) RAB9A
SCHEMBL9335752 0.81 HSD17B10 (0.61) PKMSMN1; SMN2HSD17B10THRB
SCHEMBL9384575 0.80 PDE10A (0.61)
SCHEMBL9337240 0.80 ROCK2 (0.46) TP53SMN1; SMN2RAB9AHSD17B10
SCHEMBL7505146 0.79 HSD17B10 (0.59) SMN1; SMN2HSD17B10THRB
SCHEMBL9527369 0.78 ROCK2 (0.37) MRGPRX4
Fumaric Acid SCHEMBL9868247 0.77 MEN1 (0.44) RAB9A
Fumaric Acid SCHEMBL9868255 0.77 MEN1 (0.44) RAB9A
SCHEMBL9337098 0.77 SGMS2 (0.43) HSD17B10

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 9 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 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
EP-0533695-B1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY PFIZER (US) 1994-10-05 EP disclosed
US-5322847-A Inhibit platelet activating factor, block leukotriene D4 receptors PFIZER INC. (US) 1994-06-21 US disclosed
EP-0533695-A1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY. PFIZER (US) 1993-03-31 EP disclosed
WO-1991017163-A1 IMIDAZO (4,5-c) PYRIDINES WITH PAF ANTAGONIST ACTIVITY PFIZER INC. (US) 1991-11-14 WO 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 1701/4885TDP2 1925/4885TP53 3823/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A MRGPRX4 1701/4885TDP2 1925/4885TP53 3823/4885

“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.