SCHEMBL2569876

SCHEMBL2569876

Cc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(CC3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.53
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL15204073 0.92 BDKRB1 (0.64) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL2569107 0.92 BDKRB1 (0.63) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2569926 0.90 BDKRB1 (0.65) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2569924 0.90 BDKRB1 (0.65) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2568300 0.89 BDKRB1 (0.51) BDKRB1MEN1KMT2ANPC1MAPK1
SCHEMBL14411626 0.88 ALDH1A1 (0.44) BDKRB1ALDH1A1MEN1KMT2ANPC1
SCHEMBL14411522 0.86 ALDH1A1 (0.42) BDKRB1ALDH1A1MEN1KMT2ANPC1
SCHEMBL14411578 0.85 BDKRB1 (0.43) BDKRB1ALDH1A1MEN1KMT2ANPC1
SCHEMBL2568653 0.85 BDKRB1 (0.57) BDKRB1
SCHEMBL2564178 0.85 BDKRB1 (0.51) BDKRB1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CACNA2D1 1666/4885CACNA1B 744/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CACNA2D1 1666/4885CACNA1B 744/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CACNA2D1 1666/4885CACNA1B 744/4885

“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.