SCHEMBL645384

SCHEMBL645384

COc1ccc(S(=O)(=O)N2CCc3ccccc3C2CC(=O)NCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.44
BDKRB1 P46663 3/20 0.42
MMP1 P03956 3/20 0.40
NPC1 O15118 2/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 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
MMP7 P09237 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL643344 0.94 THRB (0.44) THRBSMN1; SMN2BDKRB1MMP1MMP2
SCHEMBL643402 0.93 THRB (0.48) THRBSMN1; SMN2KMT2ABDKRB1MMP1
SCHEMBL643827 0.93 BDKRB1 (0.43) THRBSMN1; SMN2KMT2ABDKRB1MMP1
SCHEMBL642865 0.93 SMN1; SMN2 (0.45) THRBSMN1; SMN2KMT2ABDKRB1MMP1
SCHEMBL642875 0.90 THRB (0.50) THRBSMN1; SMN2KMT2ABDKRB1MMP1
SCHEMBL642866 0.88 BDKRB1 (0.53) THRBSMN1; SMN2BDKRB1
SCHEMBL644169 0.87 ALDH1A1 (0.46) THRBSMN1; SMN2BDKRB1MMP1MMP2
SCHEMBL643525 0.86 BDKRB1 (0.44) THRBSMN1; SMN2BDKRB1MMP1NPC1
SCHEMBL643749 0.86 SMN1; SMN2 (0.44) THRBSMN1; SMN2KMT2ABDKRB1MMP1
SCHEMBL644670 0.84 BDKRB1 (0.47) THRBSMN1; SMN2KMT2ABDKRB1MMP1

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 THRB 3184/4885SMN1; SMN2 48/4885KMT2A 2577/4885

“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.