SCHEMBL2914552

SCHEMBL2914552

COc1cc(C(=O)NCC(=O)O)ccc1NS(=O)(=O)c1sc2ccc(Cl)cc2c1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 8/20 0.75
PFKFB4 Q16877 6/20 0.53
PFKFB3 Q16875 6/20 0.53
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KEAP1 Q14145 1/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
ADRA1B P35368 2/20 0.47
DRD3 P35462 2/20 0.47
HTR6 P50406 2/20 0.47
HTR4 Q13639 2/20 0.47
GHSR Q92847 1/20 0.47
HTR1E P28566 1/20 0.47
HTR1F P30939 1/20 0.47

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
SCHEMBL5620427 0.88 CMA1 (0.85) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2911209 0.86 CMA1 (1.00) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL1259962 0.79 CMA1 (0.83) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2912213 0.76 CMA1 (0.80) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL5621524 0.75 PFKFB3 (0.70) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2907424 0.75 CMA1 (0.82) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL16775639 0.74 CMA1 (0.67) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2905421 0.74 CMA1 (1.00) CMA1PFKFB4PFKFB3
SCHEMBL2912893 0.74 CMA1 (0.82) CMA1PFKFB4PFKFB3NPSR1L3MBTL1
SCHEMBL2904626 0.73 CMA1 (0.98) CMA1PFKFB4PFKFB3

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
EP-1325920-B1 N-SUBSTITUTED BENZOTHIOPHENESULFONAMIDE DERIVATIVES TOA EIYO LTD (JP) 2010-08-25 EP disclosed
US-7399781-B2 N-substituted benzothiophenesulfonamide derivatives TOA EIYO LTD. (JP) 2008-07-15 US 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 (2 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 3/4885PFKFB4 4092/4885PFKFB3 4040/4885
US-20030229126-A1 N-substituted benzothiophenesulfonamide derivatives ECE1, ECE2, CMA1 CMA1 3/4885PFKFB4 4092/4885PFKFB3 4040/4885

“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.