SCHEMBL3169795

SCHEMBL3169795

O=C(c1csc(NS(=O)(=O)c2ccccc2)n1)N1CCOC[C@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.47
TRPC6 Q9Y210 2/20 0.47
SCD5 Q86SK9 5/20 0.47
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM1A O60341 1/20 0.39
PHGDH O43175 2/20 0.38
SCN9A Q15858 1/20 0.38
BACE1 P56817 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL4172599 0.85 TRPC3 (0.61) TRPC3TRPC6SCD5SCN9ASCD
SCHEMBL4165105 0.84 TRPC3 (0.66) TRPC3TRPC6SCD5ALDH1A1CYP2C9
SCHEMBL4170692 0.83 TRPC3 (0.65) TRPC3TRPC6SCD5ALDH1A1CYP2C9
SCHEMBL3169788 0.79 SCN9A (0.55) MAPK1ALDH1A1SCN9AMEN1KMT2A
SCHEMBL4181512 0.79 TRPC3 (0.71) TRPC3TRPC6SCD5ALDH1A1CYP2C9
SCHEMBL4172610 0.78 SCD5 (0.41) SCD5ALDH1A1CYP2C9CYP2C19KDM1A
SCHEMBL4176159 0.77 TRPC3 (0.61) TRPC3TRPC6SCD5ALDH1A1CYP2C9
SCHEMBL4180247 0.77 TRPC3 (0.56) TRPC3TRPC6SCD5SCN9ASCD
SCHEMBL4972644 0.76 SCD5 (0.47) TRPC3TRPC6SCD5MAPK1BACE1
SCHEMBL4177686 0.76 SCN9A (0.51) TRPC3TRPC6ALDH1A1CYP2C9CYP2C19

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-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 TRPC3 57/4885TRPC6 84/4885SCD5 1301/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TRPC3 57/4885TRPC6 84/4885SCD5 1301/4885

“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.