SCHEMBL596605

SCHEMBL596605

Cc1cc(C(=O)N(C)C)ncc1C(c1cc(F)ccc1F)[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.34
NTRK3 Q16288 3/20 0.34
NTRK2 Q16620 3/20 0.34
GPR6 P46095 6/20 0.33
PIK3CD O00329 1/20 0.32
GRIN2B Q13224 1/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
EED O75530 2/20 0.31
SUZ12 Q15022 2/20 0.31
EZH2 Q15910 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HTT P42858 1/20 0.31
ABL1 P00519 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL596131 0.90 GPR6 (0.33) NTRK1NTRK3NTRK2GPR6
SCHEMBL597249 0.88 GPR6 (0.31) GPR6EEDSUZ12EZH2
SCHEMBL596904 0.87 GRM2 (0.33) NTRK1NTRK3NTRK2CES2CES1
SCHEMBL10285773 0.85 PIK3CD (0.33) NTRK1NTRK3NTRK2GPR6PIK3CD
SCHEMBL596986 0.85 GPR6 (0.34) GPR6GRIN2BABL1
SCHEMBL596286 0.82 PSEN1 (0.37) CES2CES1
SCHEMBL596996 0.82 GCGR (0.37)
SCHEMBL596703 0.78 PSEN1 (0.41) NTRK1NTRK3NTRK2GPR6GRIN2B
SCHEMBL595255 0.75 GRM2 (0.32)
SCHEMBL596298 0.73 PSEN1 (0.49) NTRK1NTRK3NTRK2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867636-B1 PYRIDYLMETHYLSULFONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-05 EP claimed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US claimed
EP-1867636-B1 PYRIDYLMETHYLSULFONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-05 EP disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
EP-1867636-A1 PYRIDYLMETHYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-12-19 EP disclosed
EP-1867636-A1 PYRIDYLMETHYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-12-19 EP 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 (1 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-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE APP, IAPP, BACE1 NTRK1 3467/4885NTRK3 2958/4885NTRK2 1243/4885

“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.