SCHEMBL2625839

SCHEMBL2625839

C[C@@H](C(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SCN9A Q15858 3/20 0.42
SCN3A Q9NY46 2/20 0.42
SCN1A P35498 1/20 0.42
SCN4A P35499 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PTGS2 P35354 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10310679 1.00 SCN8A (0.46) SCN8AKMT2AMEN1SCN9ASCN3A
SCHEMBL1576762 0.92 KMT2A (0.44) SCN8AKMT2AMEN1SCN9ASCN3A
SCHEMBL1576760 0.92 KMT2A (0.44) SCN8AKMT2AMEN1SCN9ASCN3A
SCHEMBL2626545 0.88 SCN8A (0.42) SCN8AKMT2AMEN1SCN9ASCN3A
SCHEMBL1822091 0.88 SCN8A (0.42) SCN8AKMT2AMEN1SCN9ASCN3A
SCHEMBL10310780 0.88 SCN9A (0.42) SCN8ASCN9ASCN1ASCN5A
SCHEMBL2626216 0.88 SCN9A (0.42) SCN8ASCN9ASCN1ASCN5A
SCHEMBL14683440 0.85 KMT2A (0.44) SCN8AKMT2AMEN1SCN9ASCN3A
SCHEMBL2626404 0.85 KMT2A (0.44) SCN8AKMT2AMEN1SCN9ASCN3A
SCHEMBL14683362 0.85 KMT2A (0.44) SCN8AKMT2AMEN1SCN9ASCN3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 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-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SCN8A 78/4885KMT2A 1452/4885MEN1 4203/4885

“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.