SCHEMBL5041159

SCHEMBL5041159

CCOC(=O)COc1ccc(C(OC)C(=O)NCc2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
VNN1 O95497 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40

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
SCHEMBL5038056 0.89 PKM (0.53) PKMKMT2AMEN1POLBTSHR
SCHEMBL5038062 0.89 PKM (0.53) PKMKMT2AMEN1POLBTSHR
SCHEMBL5037474 0.87 HIF1A (0.47) PKML3MBTL1ALDH1A1SLC1A3SLC1A2
SCHEMBL5038343 0.83 PKM (0.51) PKMMAPTPOLBVNN1ALDH1A1
SCHEMBL5038345 0.83 PKM (0.51) PKMMAPTPOLBVNN1ALDH1A1
SCHEMBL5041978 0.82 PKM (0.52) PKMGAAALDH1A1SLC1A3SLC1A2
SCHEMBL5041972 0.82 PKM (0.52) PKMGAAALDH1A1SLC1A3SLC1A2
SCHEMBL5037796 0.81 PKM (0.56) PKMTSHRALDH1A1SLC1A3SLC1A2
SCHEMBL5037792 0.81 PKM (0.56) PKMTSHRALDH1A1SLC1A3SLC1A2
SCHEMBL5042355 0.81 PKM (0.58) PKMKMT2ASLC1A3SLC1A2

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 PKM 4225/4885KMT2A 1963/4885MEN1 766/4885

“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.