SCHEMBL13780476

SCHEMBL13780476

CN(Cc1csc2ccccc12)S(N)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CYP2A6 P11509 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA4 P22748 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CHRNA7 P36544 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SLC6A4 P31645 1/20 0.40
PTGS2 P35354 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL4603299 0.82 CA2 (0.54) CA1CA2CYP2A6SMN1; SMN2CA12
SCHEMBL8290973 0.79 CYP2A6 (0.60) CA1CA2CYP2A6SMN1; SMN2ALDH1A1
SCHEMBL3403576 0.78 CA2 (0.52) CA1CA2CYP2A6SMN1; SMN2CA12
SCHEMBL4277592 0.74 CA2 (0.45) CA1CA2CYP2A6SMN1; SMN2CA12
SCHEMBL21400131 0.74 CYP2A6 (0.54) CA1CA2CYP2A6SMN1; SMN2ALDH1A1
SCHEMBL91157 0.73 CYP2A6 (0.67) CA1CA2CYP2A6SMN1; SMN2ALDH1A1
SCHEMBL1273504 0.72 CYP2A6 (0.56) CA1CA2CYP2A6SMN1; SMN2CA12
SCHEMBL29425310 0.72 CA2 (1.00) CA1CA2CYP2A6CA12CA9
SCHEMBL4243562 0.72 CA2 (1.00) CA1CA2CYP2A6CA12CA9
SCHEMBL23032162 0.71 SMN1; SMN2 (0.50) CA1CA2CYP2A6SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176996-A1 PROCESS FOR THE PREPARATION OF SULFAMIDE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-09 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-20090176996-A1 PROCESS FOR THE PREPARATION OF SULFAMIDE DERIVATIVES STS, SULT2A1, SULT1A1 CA1 449/4885CA2 1316/4885CYP2A6 64/4885

“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.