SCHEMBL1999407

SCHEMBL1999407

CNC1CCN(S(=O)(=O)c2cccc3c(N)ncc(Br)c23)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.49
FEN1 P39748 4/20 0.49
DDR1 Q08345 2/20 0.36
ROCK2 O75116 8/20 0.36
ROCK1 Q13464 8/20 0.36
PRKX P51817 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
BRD4 O60885 2/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL1999402 1.00 ALOX5AP (0.49) ALOX5APFEN1DDR1ROCK2ROCK1
SCHEMBL2002014 1.00 ALOX5AP (0.49) ALOX5APFEN1DDR1ROCK2ROCK1
SCHEMBL2001180 0.88 ALOX5AP (0.49) ALOX5APFEN1ROCK2ROCK1PRKX
SCHEMBL2001179 0.88 ALOX5AP (0.49) ALOX5APFEN1ROCK2ROCK1PRKX
SCHEMBL2001317 0.88 ALOX5AP (0.49) ALOX5APFEN1ROCK2ROCK1PRKX
SCHEMBL2003081 0.88 ALOX5AP (0.45) ALOX5APFEN1DDR1MMP2MMP13
SCHEMBL1998882 0.88 ALOX5AP (0.45) ALOX5APFEN1DDR1MMP2MMP13
SCHEMBL1998886 0.88 ALOX5AP (0.45) ALOX5APFEN1DDR1MMP2MMP13
SCHEMBL2001653 0.85 ALOX5AP (0.46) ALOX5APFEN1ROCK2ROCK1PRKX
SCHEMBL2000923 0.85 ALOX5AP (0.46) ALOX5APFEN1ROCK2ROCK1PRKX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1932841-B1 SULFONAMIDE COMPOUND ASAHI KASEI PHARMA CORP (JP) 2014-01-01 EP disclosed
US-8415372-B2 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2013-04-09 US 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
US-20100093789-A1 SULFONAMIDE COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 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 (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-20100093789-A1 SULFONAMIDE COMPOUND AKT1, ROCK1, ROCK2 ALOX5AP 4150/4885FEN1 4212/4885DDR1 1191/4885
US-20070179127-A1 Sulfonamide compound MYLK, MYLK2, MYLK3 ALOX5AP 4520/4885FEN1 4586/4885DDR1 2523/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF ALOX5AP 3609/4885FEN1 4520/4885DDR1 1246/4885

“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.