SCHEMBL644169

SCHEMBL644169

COc1ccc(S(=O)(=O)N2CCc3ccccc3C2CC(=O)NCC2CCC(C(c3cccs3)N(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
BDKRB1 P46663 3/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.40
MMP1 P03956 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP9 P14780 4/20 0.39
MMP7 P09237 2/20 0.39
MMP2 P08253 2/20 0.39
MMP12 P39900 2/20 0.39
MMP14 P50281 2/20 0.39
MMP15 P51511 2/20 0.39
MMP16 P51512 2/20 0.39
MMP26 Q9NRE1 2/20 0.39
MMP13 P45452 2/20 0.38
ADAM17 P78536 1/20 0.38
MMP3 P08254 1/20 0.37
TUBB4A P04350 1/20 0.37

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
SCHEMBL644285 0.93 ALDH1A1 (0.45) ALDH1A1PKMBDKRB1USP2GAA
SCHEMBL643096 0.90 ALDH1A1 (0.46) ALDH1A1PKMBDKRB1USP2GAA
SCHEMBL643344 0.89 THRB (0.44) BDKRB1THRBMMP1SMN1; SMN2MMP9
SCHEMBL643827 0.87 BDKRB1 (0.43) ALDH1A1BDKRB1USP2GAATHRB
SCHEMBL645384 0.87 THRB (0.49) BDKRB1THRBMMP1SMN1; SMN2MMP9
SCHEMBL642865 0.85 SMN1; SMN2 (0.45) BDKRB1THRBMMP1SMN1; SMN2MMP9
SCHEMBL644132 0.83 BDKRB1 (0.46) BDKRB1THRBMMP1SMN1; SMN2MMP9
SCHEMBL492439 0.81 ALDH1A1 (0.43) ALDH1A1PKMUSP2GAAMMP1
SCHEMBL492610 0.81 ALDH1A1 (0.47) ALDH1A1PKMUSP2GAALMNA
SCHEMBL643525 0.80 BDKRB1 (0.44) BDKRB1THRBMMP1SMN1; SMN2MMP9

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 10 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
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 ALDH1A1 511/4885PKM 1401/4885BDKRB1 1566/4885

“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.