Ether

Ether

SCHEMBL515801

CC(=O)NOCC(O)CNC(=O)CCN1C(=O)C=CC1=O.CCOCC

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
MGLL Q99685 3/20 0.31
PTGS1 P23219 7/20 0.31
PTGS2 P35354 7/20 0.31
KAT2A Q92830 1/20 0.30
KAT2B Q92831 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL10018581 0.82 MGLL (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL2226946 0.79 PTGS1 (0.42) ALDH1A1HPGDMGLLPTGS1PTGS2
SCHEMBL15892740 0.79 MGLL (0.35) ALDH1A1HPGDMGLLPTGS1PTGS2
SCHEMBL515802 0.79 GSK3A (0.36) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL10067032 0.79 GSK3A (0.36) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL10018582 0.78 KAT2A (0.33) CYP2C19MGLLPTGS1PTGS2KAT2A
SCHEMBL18591512 0.78 MEN1 (0.32) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL13624122 0.77 GSK3A (0.35) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL13623673 0.77 TLR2 (0.40) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL10018579 0.77 MGLL (0.33) MGLLPTGS1PTGS2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534269-B1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE GEN HOSPITAL CORP (US) 2013-10-30 EP disclosed
US-8361442-B2 Oxime conjugates and methods for their formation and use THE GENERAL HOSPITAL CORPORATION (US) 2013-01-29 US disclosed
US-20120027680-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE THE GENERAL HOSPITAL CORPORATION (US) 2012-02-02 US disclosed
US-8030459-B2 Oxime conjugates and methods for their formation and use THE GENERAL HOSPITAL CORPORATION (US) 2011-10-04 US disclosed
US-20060058513-A1 Oxime conjugates and methods for their formation and use ENERGY, UNITED STATES DEPARTMENT OF 2006-03-16 US disclosed
EP-1534269-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE THE GENERAL HOSPITAL CORPORATION (US) 2005-06-01 EP disclosed
WO-2004009082-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE THE GENERAL HOSPITAL CORPORATION (US) 2004-01-29 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 (2 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-20060058513-A1 Oxime conjugates and methods for their formation and use GNE, OGA, SORD GSK3A 404/4885GSK3B 492/4885ALDH1A1 108/4885
US-20120027680-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE GNE, SORD, OGA GSK3A 396/4885GSK3B 489/4885ALDH1A1 107/4885

“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.