SCHEMBL643344

SCHEMBL643344

COc1ccc(S(=O)(=O)N2CCc3ccccc3C2CC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
BDKRB1 P46663 3/20 0.44
MMP1 P03956 3/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
MMP14 P50281 2/20 0.42
MMP15 P51511 2/20 0.42
MMP16 P51512 2/20 0.42
MMP26 Q9NRE1 2/20 0.42
MMP7 P09237 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAS2R14 Q9NYV8 3/20 0.41
FAAH O00519 1/20 0.39
ACHE P22303 1/20 0.39
CXCR3 P49682 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL643827 0.94 BDKRB1 (0.43) THRBBDKRB1MMP1MMP2MMP9
SCHEMBL645384 0.94 THRB (0.49) THRBBDKRB1MMP1MMP2MMP9
SCHEMBL642865 0.92 SMN1; SMN2 (0.45) THRBBDKRB1MMP1MMP2MMP9
SCHEMBL644670 0.90 BDKRB1 (0.47) THRBBDKRB1MMP1MMP2MMP9
SCHEMBL644169 0.89 ALDH1A1 (0.46) THRBBDKRB1MMP1MMP2MMP9
SCHEMBL643955 0.88 BDKRB1 (0.56) THRBBDKRB1SMN1; SMN2
SCHEMBL643525 0.87 BDKRB1 (0.44) THRBBDKRB1MMP1MMP2MMP9
SCHEMBL643402 0.87 THRB (0.48) THRBBDKRB1MMP1MMP2MMP9
SCHEMBL644132 0.87 BDKRB1 (0.46) THRBBDKRB1MMP1MMP2MMP9
SCHEMBL643749 0.86 SMN1; SMN2 (0.44) THRBBDKRB1MMP1MMP2MMP9

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 8 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 claimed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
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
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A THRB 3184/4885BDKRB1 1566/4885MMP1 3578/4885

“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.