SCHEMBL2568657

SCHEMBL2568657

CCOCCN1CCN(C(=O)COCC2Cc3ccccc3CN2S(=O)(=O)c2c(C)cc(C)cc2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPK1 P28482 1/20 0.39
BDKRB1 P46663 6/20 0.38
ALDH1A1 P00352 4/20 0.38
EPHX2 P34913 1/20 0.37
MAPT P10636 2/20 0.36
NR4A1 P22736 1/20 0.36
ESR2 Q92731 1/20 0.36
NR1D1 P20393 1/20 0.35
HTT P42858 1/20 0.34
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2566064 0.93 BDKRB1 (0.40) KMT2AMEN1MAPK1BDKRB1ALDH1A1
SCHEMBL2569951 0.89 BDKRB1 (0.49) KMT2AMEN1BDKRB1ALDH1A1EPHX2
SCHEMBL2564167 0.85 BDKRB1 (0.48) KMT2AMEN1BDKRB1ALDH1A1EPHX2
SCHEMBL2564439 0.84 LMNA (0.41) KMT2AMAPK1ALDH1A1
SCHEMBL2570013 0.83 BDKRB1 (0.48) KMT2AMEN1BDKRB1EPHX2KDM4E
SCHEMBL3817064 0.81 EPHX2 (0.38) KMT2AMEN1EPHX2
SCHEMBL5127128 0.81 EPHX2 (0.43) KMT2AMEN1EPHX2MAPTNR1D1
SCHEMBL3770278 0.80 BDKRB1 (0.60) BDKRB1
SCHEMBL2563737 0.80 BDKRB1 (0.60) BDKRB1
SCHEMBL5132300 0.80 CYP46A1 (0.40) KMT2AMEN1ALDH1A1EPHX2

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 KMT2A 1686/4885MEN1 4354/4885MAPK1 3311/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KMT2A 1686/4885MEN1 4354/4885MAPK1 3311/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KMT2A 1686/4885MEN1 4354/4885MAPK1 3311/4885

“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.