SCHEMBL513993

SCHEMBL513993

CCOC(C)=NCC(O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.40
PTGS2 P35354 7/20 0.40
MGLL Q99685 5/20 0.37
FAAH O00519 3/20 0.37
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL513992 1.00 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL10067027 0.86 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL15355097 0.77 PTGS1 (0.53) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL515802 0.77 GSK3A (0.36) HTTHPGDALDH1A1HSP90AA1MAPT
SCHEMBL10067032 0.77 GSK3A (0.36) HTTHPGDALDH1A1HSP90AA1MAPT
SCHEMBL10067024 0.75 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHHTT
Hydrochloric Acid SCHEMBL514510 0.74 PTGS1 (0.47) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL17740046 0.74 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL4761636 0.73 PTGS1 (0.60) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL24864492 0.72 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHHTT

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 PTGS1 429/4885PTGS2 503/4885MGLL 1610/4885
US-20120027680-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE GNE, SORD, OGA PTGS1 416/4885PTGS2 485/4885MGLL 1611/4885

“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.