SCHEMBL17784452

SCHEMBL17784452

NC(=O)c1ccccc1-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.67
BCAT2 O15382 1/20 0.59
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA9 Q16790 6/20 0.51
CA12 O43570 5/20 0.51
CHUK O15111 2/20 0.50
BRD4 O60885 1/20 0.48
CA13 Q8N1Q1 1/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CHEK1 O14757 1/20 0.45
MAPT P10636 1/20 0.44
TTK P33981 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
TDO2 P48775 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL28078565 0.86 IKBKB (0.65) IKBKBCA1CA2CA9CA12
SCHEMBL28078718 0.86 IKBKB (0.65) IKBKBCA1CA2CA9CA12
SCHEMBL10908563 0.83 BCAT2 (0.77) IKBKBBCAT2KEAP1NFE2L2CHEK1
SCHEMBL8802914 0.82 BCAT2 (0.65) IKBKBBCAT2CA1CA2CA9
SCHEMBL7113271 0.81 IKBKB (0.56) IKBKBCA1CA2CA9CA12
SCHEMBL14566317 0.80 IKBKB (1.00) IKBKBCHUKLRRK2
SCHEMBL4733938 0.80 CA2 (0.64) IKBKBCA1CA2CA9CA12
SCHEMBL28312069 0.79 IKBKB (0.54) IKBKBCA1CA2CA9CA12
SCHEMBL28078756 0.79 IKBKB (0.54) IKBKBCA1CA2CA9CA12
SCHEMBL28312071 0.79 IKBKB (0.54) IKBKBCA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203571-B2 Sulfonamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-21 US disclosed
US-20160152561-A1 SULFONAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2016-06-02 US disclosed
CN-101466665-B Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMA 2013-12-04 CN 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 (2 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-11203571-B2 Sulfonamides as modulators of sodium channels TRPV1, SCN1A, SCN5A IKBKB 1200/4885BCAT2 3607/4885CA1 598/4885
US-20160152561-A1 SULFONAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN1A, SCN5A IKBKB 1200/4885BCAT2 3607/4885CA1 598/4885

“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.