SCHEMBL2563013

SCHEMBL2563013

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NCCN2CCCC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2570812 0.96 BDKRB1 (0.43) KMT2ACYP2D6ACHEBCHELMNA
SCHEMBL2568129 0.94 ACHE (0.48) KMT2AACHEPOLBNPC1RAB9A
SCHEMBL2560502 0.92 ACHE (0.48) KMT2AACHEPOLBNPC1RAB9A
SCHEMBL2569920 0.92 ACHE (0.44) ACHENPC1RAB9A
SCHEMBL2570797 0.91 ACHE (0.53) KMT2ACYP2D6ACHEBCHEPOLB
SCHEMBL2565133 0.90 ACHE (0.42) KMT2ACYP2D6ACHENPC1RAB9A
SCHEMBL2570301 0.89 MAPK1 (0.50) KMT2AACHELMNANPC1RAB9A
SCHEMBL2568392 0.89 BDKRB1 (0.45) KMT2ANPC1RAB9A
SCHEMBL4128949 0.87 RAB9A (0.40) KMT2ANPC1RAB9A
SCHEMBL2566998 0.87 RAB9A (0.37) POLBNPC1RAB9AALDH1A1

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-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
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 1686/4885CYP2D6 307/4885ACHE 1236/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KMT2A 1686/4885CYP2D6 307/4885ACHE 1236/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KMT2A 1686/4885CYP2D6 307/4885ACHE 1236/4885

“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.