SCHEMBL2565005

SCHEMBL2565005

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCCN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2566914 0.98 KDM4E (0.44) KDM4EGAASMN1; SMN2PSEN1PSEN2
SCHEMBL2566652 0.97 KDM4E (0.46) KDM4EGAASMN1; SMN2PSEN1PSEN2
SCHEMBL2567011 0.90 KDM4E (0.46) KDM4EGAASMN1; SMN2PSEN1PSEN2
SCHEMBL2567405 0.85 MEN1 (0.42) SMN1; SMN2KMT2AALDH1A1ACHE
SCHEMBL2569902 0.83 MEN1 (0.42) SMN1; SMN2KMT2AALDH1A1ACHE
SCHEMBL4119264 0.83 CNR1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2563013 0.83 KMT2A (0.42) KMT2AALDH1A1CYP2D6BCHEACHE
SCHEMBL2566102 0.82 MEN1 (0.40) SMN1; SMN2KMT2AEPHX2ALDH1A1
SCHEMBL2571149 0.82 PSEN1 (0.36) KDM4EGAAPSEN1PSEN2APH1B
SCHEMBL2566757 0.82 PAX8 (0.53) KDM4ESMN1; SMN2PSEN1PSEN2APH1B

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 KDM4E 3171/4885GAA 234/4885SMN1; SMN2 45/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 KDM4E 3171/4885GAA 234/4885SMN1; SMN2 45/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 KDM4E 3171/4885GAA 234/4885SMN1; SMN2 45/4885

“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.