SCHEMBL644670

SCHEMBL644670

COc1ccc(S(=O)(=O)N2CCc3ccccc3C2CC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.47
THRB P10828 1/20 0.45
MMP1 P03956 4/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP12 P39900 3/20 0.43
MMP14 P50281 3/20 0.43
MMP15 P51511 3/20 0.43
MMP16 P51512 3/20 0.43
MMP26 Q9NRE1 3/20 0.43
MMP7 P09237 2/20 0.43
TAS2R14 Q9NYV8 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL642875 0.94 THRB (0.50) BDKRB1THRBMMP1MMP2MMP9
SCHEMBL643263 0.92 SMN1; SMN2 (0.46) BDKRB1THRBMMP1MMP2MMP9
SCHEMBL643344 0.90 THRB (0.44) BDKRB1THRBMMP1MMP2MMP9
SCHEMBL643096 0.89 ALDH1A1 (0.46) BDKRB1THRBMMP1MMP2MMP9
SCHEMBL642922 0.87 BDKRB1 (0.62) BDKRB1THRBSMN1; SMN2ALDH1A1LMNA
SCHEMBL643827 0.84 BDKRB1 (0.43) BDKRB1THRBMMP1MMP2MMP9
SCHEMBL645384 0.84 THRB (0.49) BDKRB1THRBMMP1MMP2MMP9
SCHEMBL643525 0.83 BDKRB1 (0.44) BDKRB1THRBMMP1MMP2MMP9
SCHEMBL643402 0.83 THRB (0.48) BDKRB1THRBMMP1MMP2MMP9
SCHEMBL642865 0.82 SMN1; SMN2 (0.45) BDKRB1THRBMMP1MMP2MMP9

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
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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
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 BDKRB1 1566/4885THRB 3184/4885MMP1 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.