SCHEMBL2569764

SCHEMBL2569764

Cc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCCC2Cc2ccccn2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
GLA P06280 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
NPC1 O15118 3/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2570278 0.93 RAB9A (0.41) KMT2ARAB9AALDH1A1LMNAMAPT
SCHEMBL2565910 0.91 RAB9A (0.41) KMT2ARAB9AALDH1A1KDM4ENPC1
SCHEMBL2568545 0.89 ALDH1A1 (0.40) KMT2ARAB9AALDH1A1LMNAMAPT
SCHEMBL2566400 0.87 RAB9A (0.40) RAB9AALDH1A1LMNASMN1; SMN2GLA
SCHEMBL2568613 0.86 MAPT (0.35) KMT2ARAB9AALDH1A1LMNAMAPT
SCHEMBL2570165 0.81 OPRK1 (0.41) NPC1
SCHEMBL2563626 0.80 RAB9A (0.45) RAB9AALDH1A1LMNAMAPTKDM4E
SCHEMBL2564067 0.80 MEN1 (0.40) KMT2ARAB9AALDH1A1LMNAKDM4E
SCHEMBL2567373 0.79 RORC (0.36) KMT2ARAB9AALDH1A1LMNAKDM4E
SCHEMBL5129061 0.79 KMT2A (0.38) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2

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-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
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 1686/4885RAB9A 2794/4885ALDH1A1 1535/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KMT2A 1686/4885RAB9A 2794/4885ALDH1A1 1535/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KMT2A 1686/4885RAB9A 2794/4885ALDH1A1 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.