SCHEMBL4176879

SCHEMBL4176879

COc1ccc(CC2CCCN(C(=O)c3csc(NS(=O)(=O)c4ccccc4)n3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.51
TRPC3 Q13507 2/20 0.49
TRPC6 Q9Y210 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GFER P55789 1/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44

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
SCHEMBL4177379 0.91 GAA (0.56) ALDH1A1PKMHTTTRPC3TRPC6
SCHEMBL4180264 0.89 CCR3 (0.42) ALDH1A1PKMGAAKMT2AMEN1
SCHEMBL4172986 0.87 ALDH1A1 (0.46) ALDH1A1PKMHTTTRPC3TRPC6
SCHEMBL4176363 0.86 TACR3 (0.47) ALDH1A1TRPC3TRPC6KMT2AMEN1
SCHEMBL4177020 0.86 TRPC3 (0.51) ALDH1A1PKMHTTTRPC3TRPC6
SCHEMBL4177775 0.86 ALDH1A1 (0.41) ALDH1A1PKMHTTTRPC3TRPC6
SCHEMBL4176042 0.86 ALDH1A1 (0.47) ALDH1A1PKMHTTTRPC3TRPC6
SCHEMBL4171049 0.85 ALDH1A1 (0.43) ALDH1A1PKMHTTTDP1GAA
SCHEMBL4173029 0.84 HCRTR1 (0.55) ALDH1A1PKMHTTTRPC3TRPC6
SCHEMBL3162739 0.84 GAA (0.42) ALDH1A1PKMTDP1GAAKMT2A

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 ALDH1A1 3113/4885PKM 2728/4885HTT 862/4885

“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.