SCHEMBL644793

SCHEMBL644793

COc1ccc(S(=O)(=O)N(C)C2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
KEAP1 Q14145 7/20 0.46
NFE2L2 Q16236 5/20 0.46
ALDH1A1 P00352 3/20 0.44
TAS2R14 Q9NYV8 2/20 0.43
PGR P06401 1/20 0.43
CAMK2G Q13555 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
PTGES O14684 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL642883 0.88 ALDH1A1 (0.43) KEAP1NFE2L2ALDH1A1POLBTSHR
SCHEMBL6291117 0.84 KDM4E (0.47) KEAP1NFE2L2ALDH1A1
SCHEMBL5852079 0.83 PLAU (0.49) PLAUKEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL6502911 0.81 ADAM17 (0.54) PLAU
SCHEMBL6289787 0.77 MMP13 (0.52) KEAP1NFE2L2ALDH1A1POLBSMN1; SMN2
SCHEMBL16013722 0.76 KMT2A (0.51) PLAUKEAP1NFE2L2TAS2R14TSHR
SCHEMBL27182702 0.74 MMP13 (0.53)
SCHEMBL6932296 0.73 MMP13 (0.54)
SCHEMBL11888751 0.72 BDKRB1 (0.43) TSHR
SCHEMBL10458558 0.72 CES2 (0.48) ALDH1A1HTR2A

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-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A PLAU 4099/4885KEAP1 2428/4885NFE2L2 1554/4885

“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.