SCHEMBL2004580

SCHEMBL2004580

CN[C@H]1CCN(S(=O)(=O)c2cccc3c(O)ncc(F)c23)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 10/20 0.51
▸ FEN1 P39748 10/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ COMT P21964 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ BRD4 O60885 3/20 0.37
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL2000949 1.00 ALOX5AP (0.51) ALOX5APFEN1L3MBTL1COMTCNR1
SCHEMBL2000952 1.00 ALOX5AP (0.51) ALOX5APFEN1L3MBTL1COMTCNR1
SCHEMBL2001133 0.88 ALOX5AP (0.45) ALOX5APFEN1CNR1CNR2BRD4
SCHEMBL1998886 0.88 ALOX5AP (0.45) ALOX5APFEN1COMTCNR1BRD4
SCHEMBL2003081 0.88 ALOX5AP (0.45) ALOX5APFEN1COMTCNR1BRD4
SCHEMBL1998882 0.88 ALOX5AP (0.45) ALOX5APFEN1COMTCNR1BRD4
SCHEMBL2001131 0.88 ALOX5AP (0.45) ALOX5APFEN1CNR1CNR2BRD4
SCHEMBL2004250 0.88 ALOX5AP (0.45) ALOX5APFEN1CNR1CNR2BRD4
SCHEMBL2008831 0.84 ALOX5AP (0.49) ALOX5APFEN1COMTJAK2JAK1
SCHEMBL2007211 0.84 ALOX5AP (0.49) ALOX5APFEN1COMTJAK2JAK1

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 4212/4885L3MBTL1 2322/4885
US-20070179127-A1 Sulfonamide compound MYLK, MYLK2, MYLK3 ALOX5AP 4520/4885FEN1 4586/4885L3MBTL1 1490/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF ALOX5AP 3609/4885FEN1 4520/4885L3MBTL1 2449/4885

“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.

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