SCHEMBL2626401

SCHEMBL2626401

C[C@@H](C(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)N1CCCc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.40
SCN3A Q9NY46 1/20 0.39
SCN8A Q9UQD0 7/20 0.39
SCN1A P35498 5/20 0.39
NPY5R Q15761 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10310821 1.00 SCN9A (0.40) SCN9ASCN3ASCN8ASCN1ANPY5R
SCHEMBL12710991 0.96 SCN3A (0.40) SCN9ASCN3ASCN8ASCN1A
SCHEMBL2625882 0.96 SCN3A (0.40) SCN9ASCN3ASCN8ASCN1A
SCHEMBL2626453 0.96 SCN3A (0.40) SCN9ASCN3ASCN8ASCN1A
SCHEMBL1576451 0.87 SCN9A (0.43) SCN9ASCN3A
SCHEMBL1576453 0.87 SCN9A (0.43) SCN9ASCN3A
SCHEMBL2625828 0.87 SCN9A (0.43) SCN9ASCN3A
SCHEMBL12707882 0.84 SCN8A (0.49) SCN9ASCN3ASCN8ASCN1AALDH1A1
SCHEMBL12710442 0.84 SCN8A (0.49) SCN9ASCN3ASCN8ASCN1AALDH1A1
SCHEMBL2626101 0.84 SCN8A (0.49) SCN9ASCN3ASCN8ASCN1AALDH1A1

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 74/4885SCN8A 78/4885

“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.