SCHEMBL645871

SCHEMBL645871

COC(=O)CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.73
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL645808 0.88 BDKRB1 (0.79) BDKRB1ALDH1A1POLB
SCHEMBL6402861 0.88 BDKRB1 (0.79) BDKRB1ALDH1A1POLB
SCHEMBL4425827 0.83 BDKRB1 (0.77) BDKRB1ALDH1A1POLB
SCHEMBL5801007 0.83 BDKRB1 (0.68) BDKRB1ALDH1A1POLBGAA
SCHEMBL5822672 0.82 BDKRB1 (0.67) BDKRB1ALDH1A1POLBGAA
SCHEMBL6403863 0.82 BDKRB1 (0.67) BDKRB1ALDH1A1POLBGAA
SCHEMBL6401796 0.82 BDKRB1 (0.67) BDKRB1ALDH1A1POLBGAA
SCHEMBL5797997 0.81 BDKRB1 (0.65) BDKRB1ALDH1A1POLBGAA
SCHEMBL5797511 0.80 BDKRB1 (0.60) BDKRB1ALDH1A1POLB
SCHEMBL6698072 0.80 BDKRB1 (0.73) BDKRB1ALDH1A1POLBGAA

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 1566/4885ALDH1A1 511/4885POLB 3350/4885

“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.