SCHEMBL643120

SCHEMBL643120

O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)NCC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
BDKRB1 P46663 6/20 0.45
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 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
SCHEMBL644083 0.94 BDKRB1 (0.49) HTTALDH1A1KDM4EPOLBBDKRB1
SCHEMBL643334 0.91 BDKRB1 (0.49) HTTALDH1A1BDKRB1KMT2ACYP3A4
SCHEMBL642965 0.88 HTT (0.49) HTTALDH1A1KDM4EPOLBBDKRB1
SCHEMBL643302 0.84 BDKRB1 (0.55) HTTALDH1A1BDKRB1KMT2ACYP3A4
SCHEMBL643339 0.82 HTT (0.51) HTTALDH1A1KDM4EPOLBBDKRB1
SCHEMBL645135 0.78 HTT (0.51) HTTALDH1A1KDM4EPOLBBDKRB1
SCHEMBL493473 0.77 NAPEPLD (0.37) ALDH1A1KMT2AMEN1
SCHEMBL2490896 0.76 HTT (0.51) HTTALDH1A1KDM4EPOLBBDKRB1
SCHEMBL643075 0.76 HTT (0.49) HTTALDH1A1KDM4EBDKRB1KMT2A
SCHEMBL643618 0.76 BDKRB1 (0.55) ALDH1A1POLBBDKRB1

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 9 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
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 HTT 1796/4885ALDH1A1 511/4885KDM4E 2875/4885

“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.