SCHEMBL596131

SCHEMBL596131

Cc1cc(C(=O)N(C)C)ncc1C(c1cc(F)ccc1F)[S+]([O-])c1ccc(C(F)(F)F)nc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.33
P2RX7 Q99572 1/20 0.32
GPBAR1 Q8TDU6 3/20 0.32
NTRK1 P04629 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
TRPV3 Q8NET8 1/20 0.30
TRPA1 O75762 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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 0.90 NTRK1 (0.34) GPR6NTRK1NTRK3NTRK2
SCHEMBL595628 0.80 PSEN1 (0.35) GPR6P2RX7GPBAR1NTRK1NTRK3
SCHEMBL595233 0.79 GPR6 (0.34) GPR6P2RX7GPBAR1TRPV3TRPA1
SCHEMBL597249 0.78 GPR6 (0.31) GPR6
SCHEMBL596904 0.78 GRM2 (0.33) NTRK1NTRK3NTRK2
SCHEMBL596986 0.76 GPR6 (0.34) GPR6
SCHEMBL10285773 0.76 PIK3CD (0.33) GPR6NTRK1NTRK3NTRK2
SCHEMBL596286 0.75 PSEN1 (0.37)
SCHEMBL596996 0.73 GCGR (0.37)
SCHEMBL596703 0.73 PSEN1 (0.41) GPR6NTRK1NTRK3NTRK2

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 6 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
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 3511/4885P2RX7 2484/4885GPBAR1 1729/4885

“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.