SCHEMBL13007609

SCHEMBL13007609

CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.47
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SCN1A P35498 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN8A Q9UQD0 1/20 0.45

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
SCHEMBL13007597 0.94 USP30 (0.47) SCN3APKMTDP1MEN1KMT2A
SCHEMBL13007613 0.89 RXFP1 (0.45) SCN3ATDP1MEN1KMT2AALDH1A1
SCHEMBL1858135 0.88 KMT2A (0.57) SCN3AMEN1KMT2ACA12CA1
SCHEMBL1868493 0.85 NPC1 (0.61) SCN3APKMMEN1KMT2AALDH1A1
SCHEMBL11959666 0.83 PKM (0.65) SCN3APKM
SCHEMBL11959670 0.83 NPC1 (0.50) PKMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1860725 0.82 NPC1 (0.52) SCN3APKMMEN1KMT2AALDH1A1
SCHEMBL11959668 0.80 NPC1 (0.49) PKMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8236251 0.80 PKM (0.43) SCN3APKMMEN1KMT2AALDH1A1
SCHEMBL13061291 0.78 NPC1 (0.50) PKMMEN1KMT2AALDH1A1RECQL

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-7855220-B2 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
US-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 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-20070203130-A1 Bicyclic derivatives as modulators of voltage gated ion channels TRPV1, TRPV2, TRPV3 SCN3A 46/4885PKM 2850/4885TDP1 4034/4885

“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.