SCHEMBL2910759

SCHEMBL2910759

CCOC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 7/20 0.82
PFKFB3 Q16875 8/20 0.71
PFKFB4 Q16877 8/20 0.71
NPSR1 Q6W5P4 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HTR6 P50406 2/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
HTR1F P30939 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
HTR4 Q13639 1/20 0.52

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
SCHEMBL788429 0.90 PFKFB3 (0.87) CMA1PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL5621758 0.86 PFKFB3 (0.80) CMA1PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL8255568 0.86 CMA1 (0.80) CMA1PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL2911494 0.84 CMA1 (0.84) CMA1PFKFB3PFKFB4
SCHEMBL12204617 0.84 NPSR1 (0.90) CMA1PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL15480585 0.84 CMA1 (0.77) CMA1PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL788058 0.83 PFKFB3 (1.00) CMA1PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL4452960 0.83 PFKFB3 (0.75) CMA1PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL788791 0.82 PFKFB3 (0.90) CMA1PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL8273991 0.82 CMA1 (0.70) CMA1PFKFB3PFKFB4NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325920-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD (JP) 2010-08-25 EP disclosed
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
US-7399781-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2008-07-15 US disclosed
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO disclosed
US-7071220-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2006-07-04 US disclosed
US-20060116408-A1 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2006-06-01 US disclosed
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. 2003-12-11 US disclosed
EP-1325920-A1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD. (JP) 2003-07-09 EP 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-20060116408-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 CMA1 3/4885PFKFB3 4040/4885PFKFB4 4092/4885
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 CMA1 3/4885PFKFB3 4040/4885PFKFB4 4092/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CMA1 313/4885PFKFB3 3217/4885PFKFB4 2964/4885

“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.