SCHEMBL3763606

SCHEMBL3763606

CC(C)(C)OC(=O)COCC1CCCCN1S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.50
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
DRD3 P35462 2/20 0.50
HTR6 P50406 2/20 0.50
CASP3 P42574 7/20 0.47
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CASP7 P55210 4/20 0.42
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
CASP1 P29466 2/20 0.41
FKBP1A P62942 2/20 0.40
LOX P28300 1/20 0.40
FKBP4 Q02790 1/20 0.40
FKBP5 Q13451 1/20 0.40
CYP2D6 P10635 2/20 0.39
CASP9 P55211 1/20 0.39

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
SCHEMBL2568566 0.88 CASP3 (0.46) CASP3HCRTR1HCRTR2CASP7CASP1
SCHEMBL2563852 0.86 HTR7 (0.53) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL3772972 0.83 MEN1 (0.40) CASP3HCRTR1HCRTR2CASP7CASP1
SCHEMBL3776857 0.81 CASP3 (0.48) CASP3CASP7CASP1CASP9
SCHEMBL14048053 0.80 CASP3 (0.44) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2564822 0.79 HTR7 (0.55) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2202645 0.79 STS (0.41) CASP3
SCHEMBL2202647 0.79 STS (0.41) CASP3
SCHEMBL2753737 0.79 EPHX2 (0.42) CASP3
SCHEMBL13660775 0.78 HCRTR1 (0.47) CASP3HCRTR1CASP7CASP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US 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.