SCHEMBL596996

SCHEMBL596996

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.37
METAP2 P50579 2/20 0.36
ALPL P05186 1/20 0.36
MAPK14 Q16539 2/20 0.35
MMP13 P45452 1/20 0.35
MAPK11 Q15759 1/20 0.35
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
MKNK2 Q9HBH9 1/20 0.33
CNR1 P21554 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33

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
SCHEMBL596986 0.88 GPR6 (0.34) MAPK14MMP13CYP1A2
SCHEMBL596904 0.84 GRM2 (0.33)
SCHEMBL596605 0.82 NTRK1 (0.34)
SCHEMBL596911 0.80 PSEN1 (0.41) GCGRMETAP2ALPLMMP13CYP1A2
SCHEMBL596286 0.79 PSEN1 (0.37) MAPK14
SCHEMBL595991 0.78 GCGR (0.38) GCGRMETAP2ALPLMAPK14MMP13
SCHEMBL595589 0.76 MMP13 (0.39) GCGRMETAP2ALPLMMP13
SCHEMBL597115 0.76 PSEN1 (0.40) GCGRMETAP2ALPLMMP13MKNK2
SCHEMBL596444 0.75 PSEN1 (0.37) GCGRMETAP2ALPLMAPK14MMP13
SCHEMBL4086633 0.74 PSEN1 (0.38) GCGRMETAP2ALPLMMP13

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
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
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

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 GCGR 2481/4885METAP2 205/4885ALPL 4676/4885

“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.