SCHEMBL515802

SCHEMBL515802

CCOC(C)=NOCC(O)CNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HTT P42858 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 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
SCHEMBL10067032 1.00 GSK3A (0.36) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL10067027 0.92 PTGS1 (0.39) GSK3AGSK3BALDH1A1HPGDCYP1A2
Ether SCHEMBL515801 0.79 GSK3A (0.33) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL10018581 0.77 MGLL (0.38) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL2226946 0.77 PTGS1 (0.42) ALDH1A1HPGDHSP90AA1HTTNPSR1
SCHEMBL513993 0.77 PTGS1 (0.40) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL513992 0.77 PTGS1 (0.40) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL15362286 0.75 GSK3A (0.41) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL16533055 0.75 GSK3A (0.41) GSK3AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL15892740 0.74 MGLL (0.35) ALDH1A1HPGDHSP90AA1HTTNPSR1

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.