SCHEMBL596986

SCHEMBL596986

CNC(=O)c1cc(C)c(C(c2cc(F)ccc2F)[S+]([O-])c2ccc(F)cc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL596996 0.88 GCGR (0.37) CYP1A2MMP13MAPK14
SCHEMBL596904 0.87 GRM2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL596605 0.85 NTRK1 (0.34) GPR6ABL1GRIN2B
SCHEMBL596286 0.82 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5174275 0.78 PSEN1 (0.41) GPR6PSEN1PSEN2APH1BNCSTN
SCHEMBL596131 0.76 GPR6 (0.33) GPR6
SCHEMBL595255 0.75 GRM2 (0.32) ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL597249 0.73 GPR6 (0.31) GPR6
SCHEMBL596351 0.73 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10285773 0.73 PIK3CD (0.33) GPR6GRIN2B

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 5 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
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 GPR6 3511/4885PSEN1 4/4885PSEN2 5/4885

“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.