SCHEMBL2563882

SCHEMBL2563882

O=C(COCC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR7 P34969 2/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1E P28566 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
OPRK1 P41145 5/20 0.42
CASP3 P42574 4/20 0.42
CASP7 P55210 3/20 0.42
CASP1 P29466 2/20 0.41
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 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
SCHEMBL2571913 0.98 TSHR (0.49) TSHRL3MBTL1HTR7HTR1ADRD2
SCHEMBL2566099 0.91 HTR7 (0.52) TSHRL3MBTL1HTR7HTR1ADRD2
SCHEMBL2564608 0.89 HTR7 (0.54) TSHRL3MBTL1HTR7HTR1ADRD2
SCHEMBL2567148 0.87 HTR7 (0.54) TSHRL3MBTL1HTR7HTR1ADRD2
SCHEMBL2567221 0.86 HTR7 (0.51) TSHRL3MBTL1HTR7HTR1ADRD2
SCHEMBL2568136 0.86 ATM (0.41) MEN1KMT2AOPRK1CASP3USP2
SCHEMBL2567358 0.85 HTR7 (0.56) TSHRL3MBTL1HTR7HTR1ADRD2
SCHEMBL2570681 0.85 TSHR (0.49) TSHRL3MBTL1HTR7HTR1ADRD2
SCHEMBL2567382 0.84 LMNA (0.58) TSHRL3MBTL1HTR7HTR1ADRD2
SCHEMBL2570103 0.84 HTR7 (0.49) TSHRL3MBTL1HTR7HTR1ADRD2

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 TSHR 2684/4885L3MBTL1 4648/4885HTR7 1762/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TSHR 2684/4885L3MBTL1 4648/4885HTR7 1762/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 TSHR 2684/4885L3MBTL1 4648/4885HTR7 1762/4885

“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.