SCHEMBL3163236

SCHEMBL3163236

O=C(c1csc(NS(=O)(=O)c2ccccc2)n1)N1CCSCC1c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPC3 Q13507 3/20 0.40
TRPC6 Q9Y210 3/20 0.40
SCN9A Q15858 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 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
SCHEMBL4177686 0.87 SCN9A (0.51) KDM1AALDH1A1NPC1RAB9AHPGD
SCHEMBL3163230 0.79 SCN9A (0.55) ALDH1A1SMN1; SMN2L3MBTL1SCN9AMEN1
SCHEMBL4179996 0.76 SCN9A (0.51) KDM1AALDH1A1SMN1; SMN2TRPC3TRPC6
SCHEMBL4172599 0.76 TRPC3 (0.61) TRPC3TRPC6SCN9A
SCHEMBL4165105 0.76 TRPC3 (0.66) ALDH1A1SMN1; SMN2HSD17B10TRPC3TRPC6
SCHEMBL4170692 0.75 TRPC3 (0.65) ALDH1A1SMN1; SMN2HSD17B10TRPC3TRPC6
SCHEMBL4180201 0.75 SCN9A (0.49) KDM1ANPC1RAB9ASMN1; SMN2TRPC3
SCHEMBL4176165 0.74 SCN9A (0.49) KDM1AALDH1A1TRPC3TRPC6SCN9A
SCHEMBL3169795 0.74 TRPC3 (0.47) KDM1AALDH1A1TRPC3TRPC6SCN9A
SCHEMBL4172975 0.74 TRPC3 (0.51) KDM1AALDH1A1NPC1RAB9ASMN1; SMN2

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 KDM1A 2129/4885ALDH1A1 3113/4885NPC1 897/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KDM1A 2129/4885ALDH1A1 3113/4885NPC1 897/4885

“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.