SCHEMBL4440848

SCHEMBL4440848

O=C(O)c1csc(COc2ccc(-c3ccc4c(c3)OCO4)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.55
MCL1 Q07820 1/20 0.50
BCHE P06276 5/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
MMP2 P08253 2/20 0.42
MMP13 P45452 2/20 0.42
PPARD Q03181 1/20 0.42
PTPRE P23469 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CPT2 P23786 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
SCHEMBL4446197 0.82 MMP13 (0.53) MCL1NPC1RAB9AMAPTHSP90AA1
SCHEMBL3568125 0.81 MAPT (0.56) MCL1NPC1RAB9AMAPTHSP90AA1
SCHEMBL4444245 0.79 MRGPRX4 (0.58) PTGER4MCL1NPC1RAB9AEDNRB
SCHEMBL3555592 0.79 MAPT (0.57) BCHENPC1RAB9AMAPTHSP90AA1
SCHEMBL3556746 0.79 MAPT (0.72) PTGER4BCHENPC1RAB9AMAPT
SCHEMBL14302573 0.79 MAPT (0.54) MCL1NPC1RAB9AMAPTHSP90AA1
SCHEMBL3558198 0.79 MAPT (0.67) NPC1RAB9AMAPTHSP90AA1MEN1
SCHEMBL3560701 0.79 MAPT (0.54) MCL1NPC1RAB9AMAPTHSP90AA1
SCHEMBL4444835 0.77 MAPT (0.52) MCL1NPC1RAB9AMAPTHSP90AA1
SCHEMBL4440872 0.77 MMP13 (0.52) MCL1NPC1RAB9AMAPTHSP90AA1

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-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 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 PTGER4 1116/4885MCL1 4723/4885BCHE 303/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A PTGER4 1116/4885MCL1 4723/4885BCHE 303/4885

“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.