SCHEMBL644132

SCHEMBL644132

COc1ccc(S(=O)(=O)N2CCc3ccccc3C2CC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.46
MMP1 P03956 3/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP2 P08253 1/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
MMP15 P51511 1/20 0.44
MMP16 P51512 1/20 0.44
MMP26 Q9NRE1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
CXCR3 P49682 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP3 P08254 1/20 0.41
FAAH O00519 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 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
SCHEMBL642962 0.89 BDKRB1 (0.56) BDKRB1MMP9THRBSMN1; SMN2
SCHEMBL643344 0.87 THRB (0.44) BDKRB1MMP1MMP7MMP9MMP2
SCHEMBL643827 0.83 BDKRB1 (0.43) BDKRB1MMP1MMP7MMP9MMP2
SCHEMBL645384 0.83 THRB (0.49) BDKRB1MMP1MMP7MMP9MMP2
SCHEMBL644169 0.83 ALDH1A1 (0.46) BDKRB1MMP1MMP7MMP9MMP2
SCHEMBL642865 0.82 SMN1; SMN2 (0.45) BDKRB1MMP1MMP7MMP9MMP2
SCHEMBL493078 0.81 FAAH (0.44) MMP1MMP7MMP9L3MBTL1CXCR3
SCHEMBL492905 0.81 CXCR3 (0.42) MMP1MMP7MMP9MMP2L3MBTL1
SCHEMBL493436 0.81 RAB9A (0.45) MMP1MMP7MMP9L3MBTL1CXCR3
SCHEMBL493665 0.78 RAB9A (0.47) L3MBTL1MEN1KMT2AFAAHACHE

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 1566/4885MMP1 3578/4885MMP7 2438/4885

“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.