SCHEMBL2566064

SCHEMBL2566064

COCCN1CCN(C(=O)COCC2Cc3ccccc3CN2S(=O)(=O)c2c(C)cc(C)cc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.40
NAMPT P43490 3/20 0.39
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPT P10636 1/20 0.35
NR4A1 P22736 1/20 0.35
ESR2 Q92731 1/20 0.35
TP53 P04637 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
SCHEMBL2568657 0.93 KMT2A (0.39) BDKRB1NAMPTALDH1A1EPHX2MEN1
SCHEMBL2569951 0.88 BDKRB1 (0.49) BDKRB1ALDH1A1EPHX2MEN1KMT2A
SCHEMBL2564167 0.85 BDKRB1 (0.48) BDKRB1ALDH1A1EPHX2MEN1KMT2A
SCHEMBL2564439 0.85 LMNA (0.41) ALDH1A1KMT2AMAPK1
SCHEMBL2570013 0.84 BDKRB1 (0.48) BDKRB1EPHX2MEN1KMT2A
SCHEMBL3770278 0.83 BDKRB1 (0.60) BDKRB1
SCHEMBL2563737 0.83 BDKRB1 (0.60) BDKRB1
SCHEMBL3817064 0.82 EPHX2 (0.38) EPHX2MEN1KMT2AOPRD1OPRK1
SCHEMBL5127128 0.81 EPHX2 (0.43) EPHX2MEN1KMT2AOPRD1OPRK1
SCHEMBL5132300 0.81 CYP46A1 (0.40) ALDH1A1EPHX2MEN1KMT2AOPRD1

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 2368/4885NAMPT 1393/4885ALDH1A1 1535/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885NAMPT 1393/4885ALDH1A1 1535/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885NAMPT 1393/4885ALDH1A1 1535/4885

“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.