SCHEMBL4451028

SCHEMBL4451028

O=C(O)C[C@H](c1ccccc1)c1cc(F)cc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.54
CTSA P10619 6/20 0.46
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
FFAR1 O14842 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
CYP2C19 P33261 1/20 0.42
TACR1 P25103 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL22088585 0.90 CES2 (0.45) EEF2KCTSAFFAR1
SCHEMBL15577633 0.89 FFAR1 (0.51) EEF2KCTSAFFAR1CACNA2D1CACNA1B
SCHEMBL16823437 0.89 FFAR1 (0.51) EEF2KCTSAFFAR1CACNA2D1CACNA1B
SCHEMBL16823438 0.89 FFAR1 (0.51) EEF2KCTSAFFAR1CACNA2D1CACNA1B
SCHEMBL3548212 0.86 FFAR1 (0.46) EEF2KCTSAFFAR1CYP2C19
SCHEMBL6703313 0.85 CACNA2D1 (0.55) EEF2KGABBR2GABBR1FFAR1CACNA2D1
SCHEMBL16853745 0.85 CACNA2D1 (0.55) EEF2KGABBR2GABBR1FFAR1CACNA2D1
SCHEMBL22089315 0.84 GABBR2 (0.50) EEF2KCTSAGABBR2GABBR1FFAR1
3,3-Diphenylpropanoic Acid SCHEMBL5283373 0.84 GABBR2 (0.59) GABBR2GABBR1FFAR1POLBMAPT
3,3-Diphenylpropanoic Acid SCHEMBL66473 0.84 GABBR2 (0.59) GABBR2GABBR1FFAR1POLBMAPT

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
US-20090111993-A1 Process for Preparing Beta-(Fluorophenyl)-Propanoate Ester Derivatives ASTRAZENECA AB (SE) 2009-04-30 US disclosed
EP-1951652-A1 PROCESS FOR PREPARING BETA- (FLUOROPHENYL) -PROPANOATE ESTER DERIVATIVES Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007057643-A1 PROCESS FOR PREPARING BETA- (FLUOROPHENYL) -PROPANOATE ESTER DERIVATIVES ASTRAZENECA AB (SE) 2007-05-24 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-20090111993-A1 Process for Preparing Beta-(Fluorophenyl)-Propanoate Ester Derivatives ADH1A, ADH1C, ADH5 EEF2K 1644/4885CTSA 3573/4885GABBR2 339/4885

“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.