SCHEMBL2567086

SCHEMBL2567086

CCN(Cc1ccncc1)C(=O)COCC1CCCN1S(=O)(=O)c1c(C)cc(OC)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
CHRM5 P08912 2/20 0.37
SLC2A1 P11166 2/20 0.37
BDKRB1 P46663 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HTT P42858 1/20 0.36
CASP3 P42574 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP7 P55210 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 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
SCHEMBL2568349 0.98 SLC2A1 (0.38) ALDH1A1RECQLLMNACHRM5SLC2A1
SCHEMBL2564524 0.83 BDKRB1 (0.39) ALDH1A1LMNABDKRB1CASP3CASP7
SCHEMBL2567952 0.83 BDKRB1 (0.41) CHRM5BDKRB1NPC1RAB9A
SCHEMBL2567483 0.82 ALDH1A1 (0.45) ALDH1A1RECQLCHRM5PSEN1PSEN2
SCHEMBL2569935 0.82 BDKRB1 (0.41) BDKRB1CASP3CASP7
SCHEMBL2566140 0.79 BDKRB1 (0.43) ALDH1A1LMNABDKRB1KMT2ANPC1
SCHEMBL2563556 0.79 CYP2D6 (0.44) BDKRB1TSHR
SCHEMBL3441446 0.79 RAB9A (0.43) BDKRB1CASP3CASP7NPC1RAB9A
SCHEMBL2560595 0.79 RAB9A (0.43) BDKRB1CASP3CASP7NPC1RAB9A
SCHEMBL2567109 0.79 GAA (0.40) HTTCASP3CASP7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
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 ALDH1A1 1535/4885RECQL 3558/4885LMNA 2964/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885RECQL 3558/4885LMNA 2964/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885RECQL 3558/4885LMNA 2964/4885

“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.