SCHEMBL363408

SCHEMBL363408

CCOC(=O)/C(=C/OC(C)=O)C(O)=C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.46
NPSR1 Q6W5P4 5/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
MAPT P10636 8/20 0.41
LMNA P02545 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
DHODH Q02127 2/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL363409 1.00 GLO1 (0.46) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2466882 0.84 GLO1 (0.64) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4928083 0.84 GLO1 (0.57) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL21027822 0.83 NPSR1 (0.44) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL363410 0.79 NPSR1 (0.48) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL6935316 0.72 ALDH1A1 (0.48) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2469330 0.70 GLO1 (0.46) GLO1NPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL28238687 0.69 ALDH1A1 (0.44) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11104761 0.69 ALDH1A1 (0.44) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4920405 0.69 NPSR1 (0.52) GLO1NPSR1ALDH1A1CYP2D6SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593420-B1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3-OXO-BUTYRATES LONZA AG (CH) 2016-10-19 EP disclosed
US-9156771-B2 Process for the preparation of enolate salts of 4-fluoro-2-hydroxymethylene-3 oxo-butyrates LONZA LTD (CH) 2015-10-13 US disclosed
US-20130338394-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3 OXO-BUTYRATES LONZA LTD. (CH) 2013-12-19 US disclosed
EP-2593420-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3-OXO-BUTYRATES Lonza Ltd (CH) 2013-05-22 EP disclosed
WO-2012007142-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3-OXO-BUTYRATES LONZA LTD (CH) 2012-01-19 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-20130338394-A1 PROCESS FOR THE PREPARATION OF ENOLATE SALTS OF 4-FLUORO-2-HYDROXYMETHYLENE-3 OXO-BUTYRATES ELOVL3, ELOVL1, EEF1B2 GLO1 1384/4885NPSR1 4043/4885ALDH1A1 341/4885

“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.