SCHEMBL2568646

SCHEMBL2568646

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCc1ccc(N2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PAX8 Q06710 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
POLB P06746 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
SCHEMBL2567700 0.98 MEN1 (0.41) KMT2AMEN1PAX8NPC1RAB9A
SCHEMBL2560586 0.94 KMT2A (0.41) KMT2AMEN1PAX8ALDH1A1CA1
SCHEMBL2568793 0.94 GAA (0.40) KMT2AMEN1PAX8ALDH1A1CA1
SCHEMBL2566984 0.92 KMT2A (0.42) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL2570349 0.91 GAA (0.41) KMT2AMEN1CA1CA2CA7
SCHEMBL2567405 0.91 MEN1 (0.42) KMT2AMEN1PAX8NPC1RAB9A
SCHEMBL2569902 0.89 MEN1 (0.42) KMT2AMEN1PAX8NPC1RAB9A
SCHEMBL2566757 0.88 PAX8 (0.53) KMT2AMEN1PAX8NPC1ALDH1A1
SCHEMBL2569546 0.88 KMT2A (0.41) KMT2AMEN1PAX8NPC1RAB9A
SCHEMBL2567263 0.87 GAA (0.42) KMT2AMEN1PAX8POLB

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 1686/4885MEN1 4354/4885PAX8 2313/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KMT2A 1686/4885MEN1 4354/4885PAX8 2313/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KMT2A 1686/4885MEN1 4354/4885PAX8 2313/4885

“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.