SCHEMBL10285773

SCHEMBL10285773

CN(C)C(=O)c1ccc(C(c2cc(F)ccc2F)[S+]([O-])c2ccc(F)cc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
GRM5 P41594 1/20 0.32
NTRK1 P04629 2/20 0.32
NTRK3 Q16288 2/20 0.32
NTRK2 Q16620 2/20 0.32
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HTT P42858 1/20 0.31
DYRK1A Q13627 1/20 0.31
GPR6 P46095 3/20 0.31
HSD11B1 P28845 2/20 0.31
TRPM8 Q7Z2W7 2/20 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
SCHEMBL596605 0.85 NTRK1 (0.34) PIK3CDNTRK1NTRK3NTRK2CES2
SCHEMBL596131 0.76 GPR6 (0.33) NTRK1NTRK3NTRK2GPR6
SCHEMBL597249 0.76 GPR6 (0.31) GPR6
SCHEMBL596904 0.74 GRM2 (0.33) NTRK1NTRK3NTRK2CES2CES1
SCHEMBL596986 0.73 GPR6 (0.34) GPR6GRIN2B
SCHEMBL596286 0.70 PSEN1 (0.37) GRM5CES2CES1
SCHEMBL596996 0.70 GCGR (0.37) HTR2C
SCHEMBL10285992 0.69 PSEN1 (0.41) GRM5HTR2CKCNH2MCHR1TRPM8
SCHEMBL10285519 0.69 PSEN1 (0.41) GRM5HTR2CKCNH2MCHR1CES2
SCHEMBL596703 0.67 PSEN1 (0.41) NTRK1NTRK3NTRK2CES2CES1

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 2 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-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US 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 PIK3CD 4394/4885PIK3CA 4787/4885PIK3CB 4407/4885

“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.