SCHEMBL1999037

SCHEMBL1999037

N[C@H]1CCN(S(=O)(=O)c2cccc3c(O)ncc(Cl)c23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.43
FEN1 P39748 5/20 0.43
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 4/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CHRM1 P11229 2/20 0.38

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
SCHEMBL2001292 1.00 ALOX5AP (0.43) ALOX5APFEN1MAPTMAPK1SMN1; SMN2
SCHEMBL1999039 1.00 ALOX5AP (0.43) ALOX5APFEN1MAPTMAPK1SMN1; SMN2
SCHEMBL1999419 0.88 ALOX5AP (0.46) ALOX5APFEN1MAPTMAPK1SMN1; SMN2
SCHEMBL2011356 0.88 ALOX5AP (0.46) ALOX5APFEN1MAPTMAPK1SMN1; SMN2
SCHEMBL1999417 0.88 ALOX5AP (0.46) ALOX5APFEN1MAPTMAPK1SMN1; SMN2
SCHEMBL2008831 0.87 ALOX5AP (0.49) ALOX5APFEN1COMT
SCHEMBL2010640 0.87 ALOX5AP (0.43) ALOX5APFEN1HTR6ROCK2ROCK1
SCHEMBL2005716 0.87 ALOX5AP (0.43) ALOX5APFEN1SMN1; SMN2HTR1ADRD2
SCHEMBL1999353 0.87 ALOX5AP (0.43) ALOX5APFEN1SMN1; SMN2HTR1ADRD2
SCHEMBL2011357 0.87 ALOX5AP (0.43) ALOX5APFEN1HTR6ROCK2ROCK1

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-1932841-B1 SULFONAMIDE COMPOUND ASAHI KASEI PHARMA CORP (JP) 2014-01-01 EP claimed
EP-1932841-B1 SULFONAMIDE COMPOUND ASAHI KASEI PHARMA CORP (JP) 2014-01-01 EP disclosed
US-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-7618984-B2 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1932841-A1 SULFONAMIDE COMPOUND Asahi Kasei Pharma Corporation (JP) 2008-06-18 EP disclosed
US-20070179127-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-02 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 (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-20070179127-A1 Sulfonamide compound MYLK, MYLK2, MYLK3 ALOX5AP 4520/4885FEN1 4586/4885MAPT 4244/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF ALOX5AP 3609/4885FEN1 4520/4885MAPT 4789/4885

“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.