SCHEMBL643749

SCHEMBL643749

COc1ccc(S(=O)(=O)N2CCc3ccccc3C2CC(=O)NCCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.43
BDKRB1 P46663 5/20 0.43
MMP1 P03956 4/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP12 P39900 3/20 0.40
MMP14 P50281 3/20 0.40
MMP15 P51511 3/20 0.40
MMP16 P51512 3/20 0.40
MMP26 Q9NRE1 3/20 0.40
MMP7 P09237 2/20 0.40
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 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
SCHEMBL642865 0.93 SMN1; SMN2 (0.45) SMN1; SMN2THRBBDKRB1MMP1MMP2
SCHEMBL643402 0.93 THRB (0.48) SMN1; SMN2THRBBDKRB1MMP1MMP2
SCHEMBL644089 0.90 BDKRB1 (0.53) SMN1; SMN2THRBBDKRB1
SCHEMBL643263 0.89 SMN1; SMN2 (0.46) SMN1; SMN2THRBBDKRB1MMP1MMP2
SCHEMBL643525 0.89 BDKRB1 (0.44) SMN1; SMN2THRBBDKRB1MMP1MMP2
SCHEMBL645384 0.86 THRB (0.49) SMN1; SMN2THRBBDKRB1MMP1MMP2
SCHEMBL643344 0.86 THRB (0.44) SMN1; SMN2THRBBDKRB1MMP1MMP2
SCHEMBL644285 0.85 ALDH1A1 (0.45) SMN1; SMN2THRBBDKRB1MMP1MMP2
SCHEMBL643924 0.83 BDKRB1 (0.52) SMN1; SMN2THRBBDKRB1
SCHEMBL643081 0.83 BDKRB1 (0.54) SMN1; SMN2THRBBDKRB1

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 SMN1; SMN2 48/4885THRB 3184/4885BDKRB1 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.