SCHEMBL2473634

SCHEMBL2473634

CS(=O)(=O)OCc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.50
PTPN1 P18031 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CXCR3 P49682 8/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 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
SCHEMBL4354871 0.86 KCNA5 (0.45) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL2470278 0.85 KCNA5 (0.54) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL3310850 0.85 KCNA5 (0.54) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL3308573 0.83 KCNA5 (0.51) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL12863383 0.83 CXCR3 (0.57) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL4026903 0.81 PTPN1 (0.49) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL3312841 0.80 KCNA5 (0.48) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL4023312 0.79 KCNA5 (0.47) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL4243043 0.79 CXCR3 (0.50) KCNA5PTPN1KMT2AMEN1CXCR3
SCHEMBL4069164 0.78 CXCR3 (0.49) KCNA5PTPN1KMT2AMEN1CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 EP disclosed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
EP-1615633-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-07-09 EP disclosed
EP-1809613-A2 METHODS OF MAKING 2,6-DIARYL PIPERIDINE DERIVATIVES ANORMED INC. (CA) 2007-07-25 EP disclosed
WO-2006049764-A2 METHODS OF MAKING 2,6-DIARYL PIPERIDINE DERIVATIVES ANORMED INC. (CA) 2006-05-11 WO disclosed
EP-1615633-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-01-18 EP disclosed
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ANORMED CORPORATION (CA) 2005-07-14 US disclosed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 US disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 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 (3 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-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 KCNA5 1809/4885PTPN1 4686/4885KMT2A 1667/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 KCNA5 4730/4885PTPN1 3893/4885KMT2A 2901/4885
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 KCNA5 4730/4885PTPN1 3893/4885KMT2A 2901/4885

“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.