SCHEMBL3557047

SCHEMBL3557047

O=C(O)C=Cc1ccccc1CBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.61
PTGER2 P43116 11/20 0.61
PTGER4 P35408 9/20 0.61
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
NFKB1 P19838 1/20 0.56
CA4 P22748 1/20 0.56
PTGDR Q13258 5/20 0.55
TBXA2R P21731 4/20 0.55
PTGFR P43088 3/20 0.55
PTGER1 P34995 4/20 0.54
PTGIR P43119 2/20 0.54
TBXAS1 P24557 1/20 0.51
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.48
TNKS O95271 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HCAR2 Q8TDS4 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
SCHEMBL3557041 1.00 PTGER3 (0.61) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL28598089 1.00 PTGER3 (0.61) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL10350742 0.86 PTGER3 (0.58) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL28331101 0.84 MAPT (0.54) NFKB1MAPT
SCHEMBL6274122 0.83 PTGER3 (0.63) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL6274118 0.83 PTGER3 (0.63) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL3214322 0.83 PTGER3 (0.63) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL309761 0.83 PTGER3 (0.63) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL1150939 0.83 PTGER3 (0.63) PTGER3PTGER2PTGER4CA1CA2
SCHEMBL8105303 0.81 PTGER3 (0.61) PTGER3PTGER2PTGER4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
US-20010031766-A1 Prostaglandin receptor ligands MERCK FROSST CANADA & CO. 2001-10-18 US disclosed
EP-1119542-A1 PROSTAGLANDIN RECEPTOR LIGANDS Merck Frosst Canada & Co. (CA) 2001-08-01 EP disclosed
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed
WO-2000020371-A1 PROSTAGLANDIN RECEPTOR LIGANDS MERCK FROSST CANADA & CO. (CA) 2000-04-13 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 (3 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-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 PTGER3 1136/4885PTGER2 1847/4885PTGER4 1354/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 PTGER3 1136/4885PTGER2 1847/4885PTGER4 1354/4885
US-20010031766-A1 Prostaglandin receptor ligands PTGER1, PTGER2, PTGFR PTGER3 9/4885PTGER2 2/4885PTGER4 11/4885

“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.