SCHEMBL4452960

SCHEMBL4452960

Cc1c(S(=O)(=O)Nc2ccc(C(=O)c3ccccc3)cc2)sc2ccc(Cl)cc12

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 10/20 0.75
PFKFB4 Q16877 9/20 0.75
CMA1 P23946 5/20 0.75
NPSR1 Q6W5P4 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
ITGA1 P56199 1/20 0.57
PGR P06401 1/20 0.55

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
SCHEMBL5621758 0.90 PFKFB3 (0.80) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL8255568 0.88 CMA1 (0.80) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL12204617 0.86 NPSR1 (0.90) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788108 0.86 PFKFB4 (1.00) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL15480585 0.86 CMA1 (0.77) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL27685 0.85 PFKFB4 (0.66) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL2908164 0.85 CMA1 (0.76) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL5622890 0.83 CMA1 (0.55) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
Propane SCHEMBL28642185 0.83 PFKFB4 (0.94) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL2910759 0.83 CMA1 (0.82) PFKFB3PFKFB4CMA1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PFKFB3 4040/4885PFKFB4 4092/4885CMA1 3/4885
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 PFKFB3 4040/4885PFKFB4 4092/4885CMA1 3/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR PFKFB3 3217/4885PFKFB4 2964/4885CMA1 313/4885

“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.