SCHEMBL2560586

SCHEMBL2560586

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
PAX8 Q06710 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
CYP2C19 P33261 1/20 0.37
NAMPT P43490 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2566984 0.98 KMT2A (0.42) KMT2APOLBMEN1ALDH1A1ERCC1
SCHEMBL2568646 0.94 KMT2A (0.41) KMT2APOLBMEN1ALDH1A1PAX8
SCHEMBL2567700 0.93 MEN1 (0.41) KMT2AMEN1ALDH1A1PAX8CA1
SCHEMBL2569546 0.92 KMT2A (0.41) KMT2APOLBMEN1ALDH1A1PAX8
SCHEMBL2568793 0.91 GAA (0.40) KMT2APOLBMEN1ALDH1A1PAX8
SCHEMBL2566295 0.89 ALDH1A1 (0.42) KMT2APOLBMEN1ALDH1A1LMNA
SCHEMBL2570349 0.89 GAA (0.41) KMT2AMEN1CA1CA2CA7
SCHEMBL2567405 0.87 MEN1 (0.42) KMT2APOLBMEN1ALDH1A1PAX8
SCHEMBL2566757 0.86 PAX8 (0.53) KMT2AMEN1ALDH1A1PAX8LMNA
SCHEMBL2567263 0.85 GAA (0.42) KMT2APOLBMEN1PAX8

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 KMT2A 1686/4885POLB 2852/4885MEN1 4354/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KMT2A 1686/4885POLB 2852/4885MEN1 4354/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KMT2A 1686/4885POLB 2852/4885MEN1 4354/4885

“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.