SCHEMBL1999458

SCHEMBL1999458

Cc1cncc2cccc(S(=O)(=O)N3CCC[C@H](NC(=O)OC(C)(C)C)C3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.51
FEN1 P39748 1/20 0.51
BRD4 O60885 2/20 0.49
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 4/20 0.45
MAP4K4 O95819 3/20 0.44
PRKACA P17612 2/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
DCLK1 O15075 1/20 0.44
PDPK1 O15530 1/20 0.44
PRKD3 O94806 1/20 0.44
CHEK2 O96017 1/20 0.44
LCK P06239 1/20 0.44
CDK1 P06493 1/20 0.44
FGFR1 P11362 1/20 0.44
PHKG2 P15735 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
EPHA2 P29317 1/20 0.44

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
SCHEMBL2005894 1.00 ALOX5AP (0.51) ALOX5APFEN1BRD4ROCK2ROCK1
SCHEMBL1999460 1.00 ALOX5AP (0.51) ALOX5APFEN1BRD4ROCK2ROCK1
SCHEMBL2008518 0.94 BRD4 (0.54) ALOX5APFEN1BRD4ROCK2ROCK1
SCHEMBL2006848 0.94 BRD4 (0.54) ALOX5APFEN1BRD4ROCK2ROCK1
SCHEMBL2006846 0.94 BRD4 (0.54) ALOX5APFEN1BRD4ROCK2ROCK1
SCHEMBL2007515 0.92 ROCK2 (0.46) ALOX5APFEN1BRD4ROCK2ROCK1
SCHEMBL1999290 0.91 ALOX5AP (0.56) ALOX5APFEN1BRD4ROCK2ROCK1
SCHEMBL1999362 0.91 ALOX5AP (0.52) ALOX5APFEN1BRD4MAP4K4HSD11B1
SCHEMBL2001192 0.91 ALOX5AP (0.52) ALOX5APFEN1BRD4MAP4K4HSD11B1
SCHEMBL2000846 0.91 ALOX5AP (0.50) ALOX5APFEN1BRD4MAP4K4HSD11B1

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 5 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-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 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-20100093789-A1 SULFONAMIDE COMPOUND AKT1, ROCK1, ROCK2 ALOX5AP 4150/4885FEN1 4212/4885BRD4 2598/4885
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.