SCHEMBL1999762

SCHEMBL1999762

CC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)c2cccc3cncc(Br)c23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.50
FEN1 P39748 1/20 0.50
BRD4 O60885 2/20 0.47
BTK Q06187 2/20 0.41
JAK3 P52333 1/20 0.41
MAP4K4 O95819 2/20 0.41
HSD11B1 P28845 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
DPP4 P27487 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
PARP1 P09874 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL2000846 1.00 ALOX5AP (0.50) ALOX5APFEN1BRD4BTKJAK3
SCHEMBL1999760 1.00 ALOX5AP (0.50) ALOX5APFEN1BRD4BTKJAK3
SCHEMBL2001556 0.95 BRD4 (0.53) ALOX5APFEN1BRD4JAK3PDE10A
SCHEMBL1999879 0.95 BRD4 (0.53) ALOX5APFEN1BRD4JAK3PDE10A
SCHEMBL1999884 0.95 BRD4 (0.53) ALOX5APFEN1BRD4JAK3PDE10A
SCHEMBL1999460 0.91 ALOX5AP (0.51) ALOX5APFEN1BRD4BTKJAK3
SCHEMBL2005894 0.91 ALOX5AP (0.51) ALOX5APFEN1BRD4BTKJAK3
SCHEMBL1999458 0.91 ALOX5AP (0.51) ALOX5APFEN1BRD4BTKJAK3
SCHEMBL2001192 0.90 ALOX5AP (0.52) ALOX5APFEN1BRD4BTKJAK3
SCHEMBL1999362 0.90 ALOX5AP (0.52) ALOX5APFEN1BRD4BTKJAK3

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
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 4212/4885BRD4 2598/4885
US-20070179127-A1 Sulfonamide compound MYLK, MYLK2, MYLK3 ALOX5AP 4520/4885FEN1 4586/4885BRD4 2247/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF ALOX5AP 3609/4885FEN1 4520/4885BRD4 1825/4885

“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.