SCHEMBL643244

SCHEMBL643244

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N2CCC(C(c3ccc(F)cc3)N3CCN(C)CC3)CC2)c(C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.45
CACNA2D1 P54289 3/20 0.45
CACNB1 Q02641 3/20 0.45
CACNA1C Q13936 3/20 0.45
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
BDKRB1 P46663 5/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL644122 0.93 CACNA2D1 (0.46) CACNA1BCACNA2D1CACNB1CACNA1CHCRTR1
SCHEMBL643321 0.92 CACNA2D1 (0.40) CACNA1BCACNA2D1CACNB1CACNA1CHCRTR1
SCHEMBL642812 0.83 HCRTR1 (0.37) HCRTR1HCRTR2BDKRB1SMN1; SMN2PSEN1
SCHEMBL3404248 0.82 HCRTR1 (0.38) HCRTR1HCRTR2BDKRB1MAPTTP53
SCHEMBL645171 0.81 FKBP1A (0.37) HCRTR1HCRTR2BDKRB1SMN1; SMN2LMNA
SCHEMBL3412223 0.77 BDKRB1 (0.36) HCRTR1HCRTR2BDKRB1MAPTTP53
SCHEMBL4374697 0.76 HCRTR1 (0.40) HCRTR1HCRTR2BDKRB1MAPTPSEN1
SCHEMBL4299018 0.76 HCRTR1 (0.36) HCRTR1HCRTR2BDKRB1
SCHEMBL3407195 0.76 HCRTR1 (0.39) HCRTR1HCRTR2BDKRB1
SCHEMBL5121357 0.75 HCRTR1 (0.39) HCRTR1HCRTR2BDKRB1MAPTTP53

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 CACNA1B 279/4885CACNA2D1 1158/4885CACNB1 858/4885

“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.