SCHEMBL644122

SCHEMBL644122

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N2CCC(C(c3ccccc3)N3CCN(C)CC3)CC2)c(C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 5/20 0.46
CACNA1B Q00975 5/20 0.46
CACNB1 Q02641 5/20 0.46
CACNA1C Q13936 4/20 0.46
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
BDKRB1 P46663 5/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CHRM3 P20309 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
SCHEMBL643244 0.93 CACNA1B (0.45) CACNA2D1CACNA1BCACNB1CACNA1CHCRTR1
SCHEMBL643321 0.92 CACNA2D1 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CHCRTR1
SCHEMBL642812 0.88 HCRTR1 (0.37) HCRTR1HCRTR2BDKRB1LMNAPSEN1
SCHEMBL645171 0.87 FKBP1A (0.37) HCRTR1HCRTR2BDKRB1LMNA
SCHEMBL3407195 0.81 HCRTR1 (0.39) HCRTR1HCRTR2BDKRB1
SCHEMBL3408874 0.80 HCRTR1 (0.38) HCRTR1HCRTR2BDKRB1LMNA
SCHEMBL3407853 0.79 HCRTR1 (0.37) HCRTR1HCRTR2BDKRB1LMNA
SCHEMBL3408684 0.78 BDKRB1 (0.40) HCRTR1HCRTR2BDKRB1LMNA
SCHEMBL3406175 0.78 BDKRB1 (0.41) HCRTR1HCRTR2BDKRB1
SCHEMBL3405897 0.77 HCN4 (0.41) HCRTR1HCRTR2LMNA

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 CACNA2D1 1158/4885CACNA1B 279/4885CACNB1 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.