SCHEMBL3285909

SCHEMBL3285909

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.39
FFAR4 Q5NUL3 3/20 0.39
EP300 Q09472 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
KDM1A O60341 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
MAPK8 P45983 1/20 0.36
NR4A2 P43354 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36

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 1.00 VCP (0.39) VCPFFAR4EP300CYP4F2CYP4A11
SCHEMBL3285905 1.00 VCP (0.39) VCPFFAR4EP300CYP4F2CYP4A11
SCHEMBL3282970 0.93 CYP4F2 (0.45) VCPFFAR4EP300CYP4F2CYP4A11
Bicarbonate SCHEMBL14837386 0.83 MAPK8 (0.48) EP300KDM1AADORA2AADORA1MAPK8
Bicarbonate SCHEMBL3911101 0.82 MAPK8 (0.50) EP300KDM1AADORA2AADORA1CKS1B
SCHEMBL3281778 0.77 MKNK1 (0.41) FFAR4ADORA2AADORA1NR4A2
SCHEMBL3283343 0.74 FFAR4 (0.46) FFAR4CYP4F2CYP4A11
SCHEMBL3284145 0.74 VCP (0.65) VCP
Bicarbonate SCHEMBL14837262 0.70 ADORA1 (0.41) FFAR4ADORA2AADORA1MEN1KMT2A
SCHEMBL3807905 0.70 FFAR4 (0.42) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 VCP 3194/4885FFAR4 216/4885EP300 4255/4885

“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.