SCHEMBL2567221

SCHEMBL2567221

COCCN1CCN(C(=O)COCC2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1E P28566 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CASP3 P42574 12/20 0.44
CASP7 P55210 10/20 0.44
CASP9 P55211 1/20 0.44
CASP1 P29466 3/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40

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
SCHEMBL2566099 0.91 HTR7 (0.52) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2564608 0.90 HTR7 (0.54) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2570103 0.88 HTR7 (0.49) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2563882 0.86 TSHR (0.49) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2567148 0.85 HTR7 (0.54) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2568605 0.85 HTR7 (0.51) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2564965 0.85 HTR7 (0.47) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2571913 0.84 TSHR (0.49) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2567358 0.84 HTR7 (0.56) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2568679 0.83 ALDH1A1 (0.47) TSHRL3MBTL1MEN1KMT2A

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 HTR7 1762/4885HTR1A 1385/4885DRD2 3634/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HTR7 1762/4885HTR1A 1385/4885DRD2 3634/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HTR7 1762/4885HTR1A 1385/4885DRD2 3634/4885

“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.