SCHEMBL2000845

SCHEMBL2000845

COc1ncc(Br)c2c(S(=O)(=O)N3CC[C@H](N)C3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
ROCK2 O75116 8/20 0.37
ROCK1 Q13464 8/20 0.37
BRD4 O60885 1/20 0.36
DDR1 Q08345 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 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
SCHEMBL2006567 1.00 ALOX5AP (0.41) ALOX5APFEN1ROCK2ROCK1BRD4
SCHEMBL2000847 1.00 ALOX5AP (0.41) ALOX5APFEN1ROCK2ROCK1BRD4
SCHEMBL2000923 0.85 ALOX5AP (0.46) ALOX5APFEN1ROCK2ROCK1PRKCE
SCHEMBL2000922 0.85 ALOX5AP (0.46) ALOX5APFEN1ROCK2ROCK1PRKCE
SCHEMBL2001653 0.85 ALOX5AP (0.46) ALOX5APFEN1ROCK2ROCK1PRKCE
SCHEMBL2005716 0.84 ALOX5AP (0.43) ALOX5APFEN1ROCK2ROCK1SMN1; SMN2
SCHEMBL1999353 0.84 ALOX5AP (0.43) ALOX5APFEN1ROCK2ROCK1SMN1; SMN2
SCHEMBL1999352 0.84 ALOX5AP (0.43) ALOX5APFEN1ROCK2ROCK1SMN1; SMN2
SCHEMBL2002511 0.80 BRD4 (0.54) ALOX5APFEN1BRD4DDR1
SCHEMBL2002831 0.80 BRD4 (0.54) ALOX5APFEN1BRD4DDR1

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 9 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 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 4212/4885ROCK2 3/4885
US-20070179127-A1 Sulfonamide compound MYLK, MYLK2, MYLK3 ALOX5AP 4520/4885FEN1 4586/4885ROCK2 332/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF ALOX5AP 3609/4885FEN1 4520/4885ROCK2 16/4885

“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.