SCHEMBL5074733

SCHEMBL5074733

CCOC=C(C(=O)OCC)C(=O)C(C)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.43
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
DHODH Q02127 2/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLIN1 O60240 1/20 0.33

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
SCHEMBL5188862 0.88 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL251634 0.88 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL215091 0.88 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL19223 0.85 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL15281988 0.85 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1828802 0.85 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1828800 0.85 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL19222 0.85 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL3326931 0.82
SCHEMBL50838 0.81 NPSR1 (0.56) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765764-B1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-21 EP disclosed
US-7355065-B2 Process for the preparation of 4,4-difluoro-3-oxobutanoic acid esters SYNGENTA CROP PROTECTION, INC. (US) 2008-04-08 US disclosed
US-20080004465-A1 Process for the Preparation of 4,4-Difluoro-3-Oxobutanoic Acid Esters SYNGENTA CROP PROTECTION, INC. 2008-01-03 US disclosed
EP-1765764-A1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS Syngeta Participations AG (CH) 2007-03-28 EP disclosed
WO-2006005612-A1 PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS SYNGENTA PARTICIPATIONS AG (CH) 2006-01-19 WO disclosed
US-5498624-A PLANT FUNGICIDES MONSANTO COMPANY (US) 1996-03-12 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-20080004465-A1 Process for the Preparation of 4,4-Difluoro-3-Oxobutanoic Acid Esters FFAR4, OGDH, AKR1C4 NPSR1 2123/4885GLO1 2125/4885ALDH1A1 88/4885

“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.