SCHEMBL5041833

SCHEMBL5041833

CC(C)(C)OC(=O)NCCC(=O)NCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
EPHX1 P07099 1/20 0.45
ECE1 P42892 1/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
IDO1 P14902 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL156911 0.93 GAA (0.58) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL3922780 0.92 MEN1 (0.45) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL4394882 0.91 MEN1 (0.53) MEN1GAAKMT2ATDP1EPHX1
Succinic Acid SCHEMBL29429364 0.91 GAA (0.56) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL21834873 0.91 GAA (0.56) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL9554443 0.90 TDP1 (0.57) MEN1GAAKMT2ATDP1CA1
SCHEMBL5840460 0.88 MEN1 (0.46) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL7514267 0.88 MEN1 (0.50) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL12656066 0.87 TDP1 (0.61) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL16061043 0.86 MEN1 (0.53) MEN1GAAKMT2ATDP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080608-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-01 EP disclosed
US-9527964-B2 Thermoplastic elastomers containing an oligopeptide hard component THE UNIVERSITY OF AKRON (US) 2016-12-27 US disclosed
US-20150141574-A1 THERMOPLASTIC ELASTOMERS CONTAINING AN OLIGOPEPTIDE HARD COMPONENT THE UNIVERSITY OF AKRON (US) 2015-05-21 US disclosed
EP-1313703-B1 PRODRUGS TO NMDA RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
CN-1227230-C Prodrugs to NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2005-11-16 CN disclosed
CN-1447793-A Prodrugs to NMDA receptor ligands HOFFMANN LA ROCHE (CH) 2003-10-08 CN disclosed
EP-1313703-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 EP disclosed
US-6407235-B1 A NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR-SUBTYPE SELECTIVE BLOCKERS; PRODRUGS HAVE IMPROVED SOLUBILITY AND ARE HYDROLYZED IN VIVO; FOR EXAMPLE, THE 4-AMINOMETHYL-BENZOIC ACID ESTER OF THE PHENOL, OR THE PHOSPHATE ESTER HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol EVOTEC INTERNATIONAL GMBH (DE) 2002-04-04 US disclosed
WO-2002016321-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 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-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol HAO2, CYP2B6, CBR1 MEN1 4382/4885GAA 1206/4885KMT2A 2738/4885

“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.