SCHEMBL4181072

SCHEMBL4181072

N#Cc1ccc(OC2CCCN(C(=O)c3csc(NS(=O)(=O)c4ccccc4)n3)C2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.40
SCN9A Q15858 1/20 0.39
KDM1A O60341 8/20 0.38
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KAT6A Q92794 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
STAT3 P40763 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL4184017 0.87 KAT6A (0.42) TRPC3TRPC6KAT6A
SCHEMBL4178536 0.86 TRPC3 (0.42) TRPC3TRPC6KAT6ACRHBPCRHR2
SCHEMBL4177020 0.84 TRPC3 (0.51) TRPC3TRPC6
SCHEMBL4306708 0.84 TRPC3 (0.44) TRPV4TRPC3TRPC6CRHBPCRHR2
SCHEMBL3154301 0.81 SCN9A (0.46) SCN9ASLC22A12
SCHEMBL4173605 0.77 NPC1 (0.41) TRPC3TRPC6CRHBPCRHR2
SCHEMBL4173029 0.77 HCRTR1 (0.55) TRPC3TRPC6HCRTR1HCRTR2KAT6A
SCHEMBL4173760 0.76 HCRTR1 (0.46) TRPC3TRPC6HCRTR1HCRTR2KAT6A
SCHEMBL4175075 0.76 GAA (0.43) TRPC3TRPC6HCRTR1HCRTR2KAT6A
SCHEMBL4176042 0.76 ALDH1A1 (0.47) TRPC3TRPC6HCRTR1HCRTR2CRHBP

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-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TRPV4 11/4885SCN9A 51/4885KDM1A 2129/4885

“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.