SCHEMBL2568632

SCHEMBL2568632

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACHE P22303 1/20 0.45
PSEN1 P49768 14/20 0.44
PSEN2 P49810 14/20 0.44
APH1B Q8WW43 14/20 0.44
NCSTN Q92542 14/20 0.44
APH1A Q96BI3 14/20 0.44
PSENEN Q9NZ42 14/20 0.44
APP P05067 2/20 0.44
CYP3A4 P08684 2/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL2560521 0.99 CYP2D6 (0.44) CYP2D6CYP2C19NPSR1ACHEPSEN1
SCHEMBL2569176 0.98 CYP2D6 (0.46) CYP2D6CYP2C19NPSR1ACHEPSEN1
SCHEMBL2570193 0.93 ACHE (0.45) CYP2D6CYP2C19NPSR1ACHEPSEN1
SCHEMBL2568024 0.92 BDKRB1 (0.44) CYP2D6CYP2C19NPSR1ACHEPSEN1
Hydrochloric Acid SCHEMBL2565202 0.91 BDKRB1 (0.43) CYP2D6CYP2C19NPSR1ACHEPSEN1
SCHEMBL2566060 0.90 ACHE (0.46) CYP2D6CYP2C19NPSR1ACHEPSEN1
SCHEMBL2567193 0.89 BDKRB1 (0.44) CYP2D6CYP2C19NPSR1ACHEPSEN1
SCHEMBL2563884 0.89 PSEN1 (0.43) CYP2D6CYP2C19NPSR1ACHEPSEN1
SCHEMBL2570428 0.88 BDKRB1 (0.44) CYP2D6CYP2C19NPSR1ACHEPSEN1
SCHEMBL2569077 0.88 PSEN1 (0.42) CYP2D6CYP2C19NPSR1ACHEPSEN1

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 9 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
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 CYP2D6 307/4885CYP2C19 283/4885NPSR1 70/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP2D6 307/4885CYP2C19 283/4885NPSR1 70/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CYP2D6 307/4885CYP2C19 283/4885NPSR1 70/4885

“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.