SCHEMBL643279

SCHEMBL643279

COC(=O)CC1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.58
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
GAA P10253 1/20 0.52
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
AKR1C3 P42330 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2487757 0.88 BDKRB1 (0.59) BDKRB1THRBSMN1; SMN2CYP3A4CYP2C19
SCHEMBL644906 0.85 THRB (0.58) BDKRB1THRBSMN1; SMN2CYP3A4CYP2C19
SCHEMBL3404279 0.77 BDKRB1 (0.62) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL642922 0.76 BDKRB1 (0.62) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL5915267 0.76 THRB (0.55) BDKRB1THRBSMN1; SMN2CYP3A4CYP2C19
SCHEMBL2493345 0.75 TAS2R14 (0.55) THRBSMN1; SMN2CYP3A4CYP2C19GAA
SCHEMBL4125392 0.75 BDKRB1 (0.61) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL643955 0.75 BDKRB1 (0.56) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL2518523 0.75 BDKRB1 (0.55) BDKRB1CYP3A4CYP2C19GAA
SCHEMBL644395 0.75 HTR7 (0.59) CYP3A4CYP2C19GAALMNARECQL

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 5 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 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 BDKRB1 1566/4885THRB 3184/4885SMN1; SMN2 48/4885

“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.