SCHEMBL2625828

SCHEMBL2625828

C[C@@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)N1CCCc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.43
SCN3A Q9NY46 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 1/20 0.39
LMNA P02545 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
SCHEMBL1576451 1.00 SCN9A (0.43) SCN9ASCN3AHDAC1HDAC6TP53
SCHEMBL1576453 1.00 SCN9A (0.43) SCN9ASCN3AHDAC1HDAC6TP53
SCHEMBL13180811 0.92 SCN3A (0.41) SCN9ASCN3ATP53
SCHEMBL2626297 0.91 SCN3A (0.48) SCN9ASCN3ALMNA
SCHEMBL10310788 0.91 SCN3A (0.48) SCN9ASCN3ALMNA
SCHEMBL2626011 0.89 SCN9A (0.42) SCN9ASCN3AHDAC1HDAC6LMNA
SCHEMBL10310717 0.89 SCN9A (0.42) SCN9ASCN3AHDAC1HDAC6LMNA
SCHEMBL14685830 0.89 SCN3A (0.41) SCN9ASCN3ALMNA
SCHEMBL2626230 0.88 SCN1B (0.49) SCN9ASCN3ALMNA
SCHEMBL13148770 0.88 SCN1B (0.49) SCN9ASCN3ALMNA

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 SCN9A 104/4885SCN3A 74/4885HDAC1 595/4885

“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.