SCHEMBL2632891

SCHEMBL2632891

CCCCCCCC(C)NS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.57
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 2/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
NR1I2 O75469 1/20 0.40
MMP12 P39900 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
SCHEMBL20988329 0.85 CA2 (0.57) CA2CA12CA9SMN1; SMN2CA1
SCHEMBL12656355 0.85 CA12 (0.57) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL28716257 0.85 SMN1; SMN2 (0.77) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL18896449 0.85 SMN1; SMN2 (0.77) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL30444747 0.83 SMN1; SMN2 (0.64) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL20988632 0.83 ALDH1A1 (0.62) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL8561981 0.81 CA2 (0.56) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL12575138 0.79 CA2 (0.60) CA2CA12CA9SMN1; SMN2CA1
SCHEMBL9462804 0.78 SMN1; SMN2 (0.81) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL29207034 0.77 ALDH1A1 (0.65) CA2CA12CA9SMN1; SMN2CA1

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-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

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 CA2 164/4885CA12 2671/4885CA9 2755/4885

“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.