SCHEMBL2568129

SCHEMBL2568129

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NCCCN2CCCCC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
SMYD2 Q9NRG4 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BDKRB1 P46663 1/20 0.38

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
SCHEMBL2560502 0.98 ACHE (0.48) ACHESMYD2MAPK1MAPTATM
SCHEMBL2569920 0.95 ACHE (0.44) ACHESMYD2MAPK1MAPTNPC1
SCHEMBL2565133 0.94 ACHE (0.42) ACHESMYD2MAPK1MAPTMEN1
SCHEMBL2563013 0.94 KMT2A (0.42) ACHEKMT2ANPC1RAB9AALDH1A1
SCHEMBL2570301 0.94 MAPK1 (0.50) ACHEMAPK1MEN1KMT2ANPC1
SCHEMBL2577867 0.90 ACHE (0.47) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL2570812 0.90 BDKRB1 (0.43) ACHEKMT2ANPC1RAB9ABDKRB1
SCHEMBL2569566 0.89 KMT2A (0.39) ACHEMAPTMEN1KMT2ANPC1
SCHEMBL2569154 0.88 ACHE (0.48) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL2568761 0.87 BDKRB1 (0.42) KMT2ANPC1RAB9ATSHRBDKRB1

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-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
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US 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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (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 ACHE 1236/4885SMYD2 1027/4885MAPK1 3311/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ACHE 1236/4885SMYD2 1027/4885MAPK1 3311/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ACHE 1236/4885SMYD2 1027/4885MAPK1 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.