SCHEMBL4172986

SCHEMBL4172986

COc1ccccc1CC1CCCN(C(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.43
ALOX12 P18054 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
EDNRA P25101 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM1A O60341 1/20 0.40
SHMT2 P34897 1/20 0.39

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
SCHEMBL4176879 0.87 ALDH1A1 (0.53) ALDH1A1PKMKMT2AHTTGAA
SCHEMBL4177379 0.85 GAA (0.56) ALDH1A1PKMHTTGAALMNA
SCHEMBL4171049 0.85 ALDH1A1 (0.43) ALDH1A1PKMKMT2AHTTGAA
SCHEMBL4180264 0.84 CCR3 (0.42) ALDH1A1PKMKMT2AGAALMNA
SCHEMBL4176042 0.84 ALDH1A1 (0.47) ALDH1A1PKMKMT2AHTTGAA
SCHEMBL4177775 0.83 ALDH1A1 (0.41) ALDH1A1PKMKMT2AHTTGAA
SCHEMBL4173029 0.82 HCRTR1 (0.55) ALDH1A1PKMKMT2AHTTGAA
SCHEMBL4176363 0.81 TACR3 (0.47) ALDH1A1KMT2ATRPC3TRPC6CYP2C9
SCHEMBL3163482 0.81 KMT2A (0.54) ALDH1A1PKMKMT2AHTTALOX12
SCHEMBL3162739 0.81 GAA (0.42) ALDH1A1PKMKMT2AGAALMNA

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 2728/4885KMT2A 1920/4885

“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.