SCHEMBL1445552

SCHEMBL1445552

COCOCC(=O)N(C)OC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL25255150 0.86 MEN1 (0.34) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL1254697 0.82 ALDH1A1 (0.38) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL1558801 0.81
SCHEMBL25062278 0.81 MEN1 (0.33) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL30574208 0.77 ALDH1A1 (0.43) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL6993496 0.77 MEN1 (0.30) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL5735758 0.75 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL27216882 0.74
SCHEMBL29316573 0.74 CES2 (0.33) MEN1KMT2ATDP1
SCHEMBL933165 0.74 TDP1 (0.34) MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023706-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
US-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
US-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
US-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND HOFFMANN-LA ROCHE, INC. 2011-03-03 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-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND GCKR, GCK, HK1 MEN1 2762/4885KMT2A 2741/4885TDP1 3558/4885

“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.