SCHEMBL2003045

SCHEMBL2003045

CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(F)c23)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.53
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
ROCK2 O75116 8/20 0.45
ROCK1 Q13464 8/20 0.45
PLK4 O00444 1/20 0.45
NQO2 P16083 1/20 0.45
MARK3 P27448 1/20 0.45
MAP2K3 P46734 1/20 0.45
CDK9 P50750 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
MARK2 Q7KZI7 1/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
AURKB Q96GD4 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45

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
SCHEMBL2000648 1.00 BRD4 (0.53) BRD4ALOX5APFEN1ROCK2ROCK1
SCHEMBL2004217 1.00 BRD4 (0.53) BRD4ALOX5APFEN1ROCK2ROCK1
SCHEMBL1999289 0.95 ALOX5AP (0.56) BRD4ALOX5APFEN1ROCK2ROCK1
SCHEMBL1999290 0.95 ALOX5AP (0.56) BRD4ALOX5APFEN1ROCK2ROCK1
SCHEMBL2000135 0.95 ALOX5AP (0.56) BRD4ALOX5APFEN1ROCK2ROCK1
SCHEMBL2006848 0.91 BRD4 (0.54) BRD4ALOX5APFEN1ROCK2ROCK1
SCHEMBL2006846 0.91 BRD4 (0.54) BRD4ALOX5APFEN1ROCK2ROCK1
SCHEMBL2008518 0.91 BRD4 (0.54) BRD4ALOX5APFEN1ROCK2ROCK1
SCHEMBL2010256 0.89 BRD4 (0.51) BRD4ALOX5APFEN1CKS1BSKP1
SCHEMBL2010258 0.89 BRD4 (0.51) BRD4ALOX5APFEN1CKS1BSKP1

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 7 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-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 BRD4 2247/4885ALOX5AP 4520/4885FEN1 4586/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF BRD4 1825/4885ALOX5AP 3609/4885FEN1 4520/4885

“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.