SCHEMBL13007613

SCHEMBL13007613

CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.43
SCN3A Q9NY46 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL27749772 0.90 KDM4E (0.43) RXFP1ALDH1A1MEN1KMT2ASCN3A
SCHEMBL13007609 0.89 SCN3A (0.47) ALDH1A1TDP1MEN1KMT2AADORA2A
SCHEMBL8244471 0.87 KDM4E (0.47) ALDH1A1MEN1KMT2ASCN3ALMNA
SCHEMBL8244222 0.85 NPC1 (0.57) ALDH1A1MEN1KMT2ASCN3ASMN1; SMN2
SCHEMBL13007597 0.84 USP30 (0.47) ALDH1A1TDP1MEN1KMT2AADORA2A
SCHEMBL1863465 0.84 SLC40A1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL1856352 0.81 KDM4E (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1855121 0.80 KMT2A (0.63) MEN1KMT2ASCN3ALMNASMN1; SMN2
SCHEMBL1857366 0.79 SLC40A1 (0.45) ALDH1A1MEN1KMT2ASCN3ASMN1; SMN2
SCHEMBL11959669 0.79 MAPK1 (0.48) ALDH1A1MEN1KMT2AADORA2ASCN3A

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 RXFP1 3134/4885ALDH1A1 3195/4885TDP1 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.