SCHEMBL645088

SCHEMBL645088

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)CC2c3ccccc3CCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.58
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.42
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
OPRL1 P41146 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
AKR1C3 P42330 1/20 0.35

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
SCHEMBL644218 0.93 BDKRB1 (0.60) BDKRB1SMN1; SMN2THRBPKMOPRL1
SCHEMBL642922 0.93 BDKRB1 (0.62) BDKRB1SMN1; SMN2THRBOPRL1OPRM1
SCHEMBL643924 0.91 BDKRB1 (0.52) BDKRB1SMN1; SMN2THRBOPRL1OPRM1
SCHEMBL644089 0.89 BDKRB1 (0.53) BDKRB1SMN1; SMN2THRBOPRL1OPRM1
SCHEMBL643263 0.89 SMN1; SMN2 (0.46) BDKRB1SMN1; SMN2THRB
SCHEMBL642866 0.84 BDKRB1 (0.53) BDKRB1SMN1; SMN2THRBOPRL1OPRM1
SCHEMBL643955 0.83 BDKRB1 (0.56) BDKRB1SMN1; SMN2THRBOPRL1OPRM1
SCHEMBL643081 0.82 BDKRB1 (0.54) BDKRB1SMN1; SMN2THRBOPRL1OPRM1
SCHEMBL642875 0.81 THRB (0.50) BDKRB1SMN1; SMN2THRBPKM
SCHEMBL644670 0.81 BDKRB1 (0.47) BDKRB1SMN1; SMN2THRBPKMTSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1566/4885SMN1; SMN2 48/4885THRB 3184/4885

“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.