SCHEMBL2569646

SCHEMBL2569646

CN1CCN(C2CCN(C(=O)COCC3CCCN3S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.46
ACHE P22303 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 8/20 0.38
PSEN2 P49810 8/20 0.38
APH1B Q8WW43 8/20 0.38
NCSTN Q92542 8/20 0.38
APH1A Q96BI3 8/20 0.38
PSENEN Q9NZ42 8/20 0.38
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.36
CYP3A4 P08684 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL2569987 0.95 BDKRB1 (0.46) BDKRB1ACHEKDM4EPSEN1PSEN2
SCHEMBL2569077 0.93 PSEN1 (0.42) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL2563884 0.92 PSEN1 (0.43) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL2566060 0.91 ACHE (0.46) BDKRB1ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL2565946 0.90 CNR1 (0.42) BDKRB1KDM4EALDH1A1SMN1; SMN2PSEN1
SCHEMBL2570297 0.89 KDM4E (0.43) ACHEKDM4EALDH1A1SMN1; SMN2PSEN1
SCHEMBL2570193 0.89 ACHE (0.45) BDKRB1ACHEKDM4EPSEN1PSEN2
SCHEMBL2567193 0.88 BDKRB1 (0.44) BDKRB1ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL2568550 0.88 BDKRB1 (0.43) BDKRB1ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL15204220 0.88 BDKRB1 (0.44) BDKRB1ACHEKDM4ESMN1; SMN2PSEN1

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-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
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 BDKRB1 2368/4885ACHE 1236/4885KDM4E 3171/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885ACHE 1236/4885KDM4E 3171/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885ACHE 1236/4885KDM4E 3171/4885

“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.