SCHEMBL4444250

SCHEMBL4444250

O=C(O)c1csc(COc2ccc(-c3ccccc3OC(F)(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.55
NR1H4 Q96RI1 4/20 0.50
HSD17B13 Q7Z5P4 1/20 0.50
SCN9A Q15858 4/20 0.49
CYP2C9 P11712 2/20 0.48
FFAR1 O14842 2/20 0.47
MMP2 P08253 7/20 0.46
MMP13 P45452 7/20 0.46
MMP1 P03956 5/20 0.45
MMP9 P14780 5/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL4446200 0.86 FFAR4 (0.53) FFAR4MMP2MMP13MMP1MMP9
SCHEMBL4444241 0.85 MMP13 (0.57) MMP2MMP13MMP1MMP9NPC1
SCHEMBL3568125 0.82 MAPT (0.56) MMP2MMP13MMP1MMP9NPC1
SCHEMBL14310388 0.81 MMP13 (0.49) MMP2MMP13MMP1MMP9NPC1
SCHEMBL13816246 0.81 MAPT (0.55) FFAR1MMP2MMP13MMP1MMP9
SCHEMBL4448660 0.81 MMP13 (0.48) CYP2C9MMP2MMP13MMP1MMP9
SCHEMBL3348750 0.79 MAPT (0.58) MMP2MMP13MMP1MMP9NPC1
SCHEMBL4448567 0.79 NPC1 (0.49) FFAR4FFAR1MMP2MMP13MMP1
SCHEMBL3555525 0.78 MMP13 (0.46) MMP2MMP13MMP1MMP9NPC1
SCHEMBL4446197 0.78 MMP13 (0.53) MMP2MMP13MMP1MMP9NPC1

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-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
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 FFAR4 744/4885NR1H4 220/4885HSD17B13 20/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A FFAR4 744/4885NR1H4 220/4885HSD17B13 20/4885

“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.