SCHEMBL3813339

SCHEMBL3813339

NS(=O)(=O)C(c1ccccc1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
KIF11 P52732 1/20 0.41
CHRM2 P08172 6/20 0.40
CHRM1 P11229 6/20 0.40
CYP2D6 P10635 4/20 0.40
KCNH2 Q12809 3/20 0.40
CHRM3 P20309 8/20 0.39
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
HRH1 P35367 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 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
SCHEMBL6233655 0.71 KEAP1 (0.48) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL10709838 0.71 KEAP1 (0.48) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL6449683 0.70 KIF11 (0.36) KEAP1NFE2L2CA1CA2CA5A
SCHEMBL29116795 0.69 KEAP1 (0.56) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL11722177 0.69 KEAP1 (0.56) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL28386898 0.69 KEAP1 (0.47) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL1403926 0.69 KEAP1 (0.50) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL7748980 0.69 KEAP1 (0.50) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL15412916 0.68 KEAP1 (0.46) KEAP1NFE2L2KIF11CHRM2CHRM1
SCHEMBL4475515 0.68 KEAP1 (0.54) KEAP1NFE2L2KIF11CHRM2CHRM1

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-8263808-B2 Method for deprotecting aryl or alkyl sulfonamides of primary or secondary amines SIGNA CHEMISTRY, INC. (US) 2012-09-11 US disclosed
US-20090306391-A1 METHOD FOR DEPROTECTING ARYL OR ALKYL SULFONAMIDES OF PRIMARY OR SECONDARY AMINES SIGNA CHEMISTRY, LLC (US) 2009-12-10 US disclosed
EP-2035465-A2 METHOD FOR DEPROTECTING ARYL OR ALKYL SULFONAMIDES OF PRIMARY OR SECONDARY AMINES SIGNA CHEMISTRY LLC (US) 2009-03-18 EP disclosed
WO-2007095276-A2 METHOD FOR DEPROTECTING ARYL OR ALKYL SULFONAMIDES OF PRIMARY OR SECONDARY AMINES SIGNA CHEMISTRY, LLC (US) 2007-08-23 WO 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-20090306391-A1 METHOD FOR DEPROTECTING ARYL OR ALKYL SULFONAMIDES OF PRIMARY OR SECONDARY AMINES ARSA, KCNJ1, SIK3 KEAP1 1327/4885NFE2L2 1251/4885CA1 779/4885

“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.