SCHEMBL2566445

SCHEMBL2566445

O=C(COCC1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)cc1Cl)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR3 P51677 2/20 0.38
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
GRM5 P41594 1/20 0.37
PSEN1 P49768 6/20 0.37
PSEN2 P49810 6/20 0.37
APH1B Q8WW43 6/20 0.37
NCSTN Q92542 6/20 0.37
APH1A Q96BI3 6/20 0.37
PSENEN Q9NZ42 6/20 0.37
APP P05067 2/20 0.37
MAPT P10636 1/20 0.36
FKBP1A P62942 1/20 0.36
GAA P10253 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
SCHEMBL2571091 0.93 PSEN1 (0.43) ACHECCR3GRM5PSEN1PSEN2
SCHEMBL2570113 0.92 PSEN1 (0.44) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL2568399 0.92 ACHE (0.43) ACHEKDM4EALDH1A1SMN1; SMN2CCR3
SCHEMBL3769761 0.90 GRM5 (0.40) ACHECCR3GRM5PSEN1PSEN2
SCHEMBL2566754 0.90 GRM5 (0.40) ACHECCR3GRM5PSEN1PSEN2
SCHEMBL2568226 0.83 GRM5 (0.37) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL3775346 0.83 GRM5 (0.37) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL3772158 0.81 CACNA2D1 (0.42) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2564657 0.81 CACNA2D1 (0.42) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL5128701 0.81 CCR1 (0.41) GRM5MAPTEPHX2KMT2APOLB

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 ACHE 1236/4885KDM4E 3171/4885ALDH1A1 1535/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ACHE 1236/4885KDM4E 3171/4885ALDH1A1 1535/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ACHE 1236/4885KDM4E 3171/4885ALDH1A1 1535/4885

“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.