SCHEMBL3282970

SCHEMBL3282970

O=C(O)[C@H]1CCC[C@@H](COc2ncc(-c3ccccc3)c(-c3ccccc3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
MAPK8 P45983 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
ALDH1A1 P00352 3/20 0.38
EP300 Q09472 1/20 0.37
KDM1A O60341 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 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
SCHEMBL3285910 0.93 VCP (0.39) CYP4F2CYP4A11MAPK8FFAR4EP300
SCHEMBL3285905 0.93 VCP (0.39) CYP4F2CYP4A11MAPK8FFAR4EP300
SCHEMBL3285909 0.93 VCP (0.39) CYP4F2CYP4A11MAPK8FFAR4EP300
Bicarbonate SCHEMBL14837386 0.86 MAPK8 (0.48) MAPK8ALDH1A1EP300KDM1AADORA2A
Bicarbonate SCHEMBL3911101 0.85 MAPK8 (0.50) MAPK8ALDH1A1EP300KDM1AADORA2A
SCHEMBL3281778 0.82 MKNK1 (0.41) FFAR4ALDH1A1ADORA2AADORA1
SCHEMBL3283343 0.72 FFAR4 (0.46) CYP4F2CYP4A11FFAR4
SCHEMBL28514176 0.71 KDM1A (0.35) MAPK8ALDH1A1EP300KDM1ANPSR1
Bicarbonate SCHEMBL14837262 0.71 ADORA1 (0.41) FFAR4ALDH1A1ADORA2AADORA1NPSR1
SCHEMBL28509003 0.69 KDM4E (0.37) ALDH1A1EP300KDM1AADORA2AADORA1

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 3 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

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 CYP4F2 424/4885CYP4A11 82/4885MAPK8 2857/4885

“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.