SCHEMBL2475016

SCHEMBL2475016

Cc1ccc(S(=O)(=O)n2ccnc2CBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
ALDH1A1 P00352 1/20 0.56
RAPGEF4 Q8WZA2 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
ALDH3A1 P30838 1/20 0.44
HTT P42858 1/20 0.44
NOD1 Q9Y239 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 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
SCHEMBL6593439 0.86 TSHR (0.58) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL9195842 0.86 TSHR (0.73) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL2476648 0.85 TSHR (0.56) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL2566000 0.82 TSHR (0.54) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL5591566 0.81 TSHR (0.53) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL9200936 0.80 TSHR (0.52) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL11610732 0.80 TSHR (0.55) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL1580297 0.80 TSHR (0.52) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL9073778 0.80 TSHR (0.52) TSHRALDH1A1RAPGEF4L3MBTL1MAPK1
SCHEMBL25301888 0.80 RAPGEF4 (0.54) TSHRALDH1A1RAPGEF4L3MBTL1POLB

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 TSHR 4710/4885ALDH1A1 3/4885RAPGEF4 1556/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 TSHR 1287/4885ALDH1A1 290/4885RAPGEF4 709/4885
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 TSHR 1287/4885ALDH1A1 290/4885RAPGEF4 709/4885

“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.