SCHEMBL2569902

SCHEMBL2569902

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC13A5 Q86YT5 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL2567405 0.98 MEN1 (0.42) MEN1KMT2AHRH3ACHESMN1; SMN2
SCHEMBL2566295 0.93 ALDH1A1 (0.42) MEN1KMT2AHRH3SMN1; SMN2ALDH1A1
SCHEMBL2568440 0.93 DDR1 (0.40) MEN1KMT2ASMN1; SMN2SLC13A5
SCHEMBL2569546 0.92 KMT2A (0.41) MEN1KMT2AHRH3SMN1; SMN2ALDH1A1
SCHEMBL2566102 0.92 MEN1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1PAX8
SCHEMBL2569042 0.91 MEN1 (0.41) MEN1KMT2AHRH3SMN1; SMN2ALDH1A1
SCHEMBL2567700 0.91 MEN1 (0.41) MEN1KMT2AHRH3ALDH1A1PAX8
SCHEMBL2563749 0.90 MEN1 (0.41) MEN1KMT2AHRH3SMN1; SMN2ALDH1A1
SCHEMBL2568646 0.89 KMT2A (0.41) MEN1KMT2AALDH1A1PAX8TDP1
SCHEMBL2569342 0.87 KMT2A (0.40) MEN1KMT2AALDH1A1PAX8SLC13A5

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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 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 MEN1 4354/4885KMT2A 1686/4885HRH3 1271/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MEN1 4354/4885KMT2A 1686/4885HRH3 1271/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MEN1 4354/4885KMT2A 1686/4885HRH3 1271/4885

“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.