SCHEMBL1002828

SCHEMBL1002828

CS(=O)(=O)Nc1cccc(CCCCN)c1NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 1/20 0.41
PTK2 Q05397 1/20 0.38
PTGS1 P23219 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR3C1 P04150 5/20 0.37
GLO1 Q04760 2/20 0.37
PGR P06401 2/20 0.37
NR3C2 P08235 2/20 0.37
AR P10275 2/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.36
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 3/20 0.36
RCE1 Q9Y256 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PARP14 Q460N5 1/20 0.35
HPGD P15428 2/20 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
SCHEMBL8523655 0.86 KEAP1 (0.44) KEAP1NFE2L2PTK2PTGS1L3MBTL1
SCHEMBL4624724 0.74 KEAP1 (0.47) KEAP1NFE2L2PTGS1L3MBTL1NR3C1
SCHEMBL22000403 0.71 LIPG (0.47) KEAP1NFE2L2PTGS1L3MBTL1ALDH1A1
SCHEMBL4866296 0.71 KEAP1 (0.50) KEAP1NFE2L2PTK2PTGS1L3MBTL1
SCHEMBL8504969 0.71 ALDH1A1 (0.45) KEAP1PTGS1L3MBTL1ALDH1A1KDM4E
SCHEMBL8867618 0.70 KEAP1 (0.46) KEAP1NFE2L2PTGS1L3MBTL1NR3C1
Hydrochloric Acid SCHEMBL15225007 0.69 KEAP1 (0.49) KEAP1NFE2L2PTK2PTGS1L3MBTL1
SCHEMBL8867626 0.69 PIK3CG (0.49) KEAP1NFE2L2PTGS1L3MBTL1NR3C1
SCHEMBL16323291 0.69 KEAP1 (0.45) KEAP1NFE2L2PTGS1L3MBTL1NR3C1
SCHEMBL3382924 0.68 ALDH1A1 (0.37) ALDH1A1KDM4ERCE1HPGDSMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-7820678-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-26 US disclosed
EP-1599096-B1 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-12-24 EP disclosed
US-20080076782-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-03-27 US disclosed
US-7345044-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2008-03-18 US disclosed
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 US disclosed
US-7030117-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2006-04-18 US disclosed
US-7026325-B2 Sodium channel blockers PARION-SCIENCES, INC. (US) 2006-04-11 US disclosed
US-20060063780-A1 Sodium channel blockers JOHNSON MICHAEL R 2006-03-23 US disclosed
US-6995160-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2006-02-07 US disclosed
US-6903105-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-06-07 US disclosed
US-20050113389-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20050113388-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20050113390-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20040162296-A1 Sodium channel blockers PARION SCIENCES, INC. 2004-08-19 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 (7 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-20060142581-A1 Hetero substitued sodium channel blockers SCN2B, CACNA1B, CACNA1G KEAP1 3183/4885NFE2L2 2469/4885PTK2 4090/4885
US-20050113390-A1 Sodium channel blockers HCN4, SCN2B, SCN5A KEAP1 1076/4885NFE2L2 3712/4885PTK2 4374/4885
US-20050113389-A1 Sodium channel blockers HCN4, SCN2B, SCN5A KEAP1 1076/4885NFE2L2 3712/4885PTK2 4374/4885
US-20080076782-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A KEAP1 1076/4885NFE2L2 3712/4885PTK2 4374/4885
US-20050113388-A1 Sodium channel blockers HCN4, SCN2B, SCN5A KEAP1 1076/4885NFE2L2 3712/4885PTK2 4374/4885
US-20040162296-A1 Sodium channel blockers HCN4, SCN2B, SCN5A KEAP1 1076/4885NFE2L2 3712/4885PTK2 4374/4885
US-20060063780-A1 Sodium channel blockers HCN4, SCN2B, SCN5A KEAP1 1076/4885NFE2L2 3712/4885PTK2 4374/4885

“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.