SCHEMBL3289886

SCHEMBL3289886

O=C(O)C1(COc2ncc(-c3ccccc3)c(-c3ccccc3)n2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.43
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ADORA1 P30542 5/20 0.39
ADORA2A P29274 2/20 0.39
AKT1 P31749 1/20 0.35
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
Bicarbonate SCHEMBL14837386 0.73 MAPK8 (0.48) ADORA1ADORA2AALDH1A1
Bicarbonate SCHEMBL14837262 0.72 ADORA1 (0.41) ADORA1ADORA2AALDH1A1
SCHEMBL14882073 0.71 DGAT1 (0.38) DGAT1SOAT1KCNH2
SCHEMBL8986957 0.70 LTB4R (0.57)
SCHEMBL9291667 0.70 LTB4R (0.57)
SCHEMBL8987144 0.70 LTB4R (0.57)
Bicarbonate SCHEMBL3917634 0.69 ADORA1 (0.39) ADORA1ADORA2AAKT1SOAT1KDM4E
SCHEMBL14881163 0.68 DGAT1 (0.38) DGAT1SOAT1KCNH2
SCHEMBL3285910 0.68 VCP (0.39) ADORA1ADORA2AAKT1
SCHEMBL3285909 0.68 VCP (0.39) ADORA1ADORA2AAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024339-B1 4,5-DIPHENYL-PYRIMIDINYL-OXY OR -MERCAPTO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI SA (FR) 2013-04-10 EP disclosed
US-7709494-B2 for lowering blood glucose, treating diabetes, or increasing insulin release, hyperglycemia; (1S,3R)-3-(4,5-Diphenylpyrimidin-2-yloxymethyl)cyclohexanecarboxylic acid SANOFI-AVENTIS (DE) 2010-05-04 US disclosed
US-20090149486-A1 4,5-DIPHENYL-PYRIMIDINYL-OXY OR -MERCAPTO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-06-11 US disclosed
EP-2024339-A1 4,5-DIPHENYL-PYRIMIDINYL-OXY OR -MERCAPTO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis (FR) 2009-02-18 EP disclosed
WO-2007131619-A1 4,5-DIPHENYL-PYRIMIDINYL-OXY OR -MERCAPTO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-11-22 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 (1 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-20090149486-A1 4,5-DIPHENYL-PYRIMIDINYL-OXY OR -MERCAPTO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SLC5A1, SLC5A2, DPP4 DGAT1 1358/4885PPARG 337/4885PPARA 249/4885

“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.