SCHEMBL13337362

SCHEMBL13337362

[C-]#[N+]c1cc(NS(=O)(=O)C2CC2)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
PGR P06401 9/20 0.40
CYP17A1 P05093 2/20 0.40
GSTP1 P09211 1/20 0.40
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
HDAC4 P56524 1/20 0.37
OGG1 O15527 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
SCHEMBL3376000 0.84 PGR (0.46) SCN9APGRCYP17A1GSTP1HPGD
SCHEMBL3374882 0.81 PGR (0.55) SCN9APGRHPGDHTTHDAC4
SCHEMBL3378360 0.81 PGR (0.43) SCN9APGRCYP17A1GSTP1HPGD
SCHEMBL3375581 0.78 HDAC4 (0.41) SCN9APGRCYP17A1HDAC4
SCHEMBL13337360 0.72 BRPF1 (0.42) CYP17A1HDAC4
SCHEMBL3377038 0.70 ACLY (0.60) SCN9A
SCHEMBL31621716 0.68 GSTP1 (0.53) GSTP1
SCHEMBL3374290 0.68 ACACB (0.45) CYP17A1
SCHEMBL3378469 0.67 ACLY (0.51) SCN9A
SCHEMBL15840918 0.67 SMN1; SMN2 (0.62) CYP17A1HPGDHTT

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-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 SCN9A 70/4885PGR 4327/4885CYP17A1 3984/4885

“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.