SCHEMBL5017073

SCHEMBL5017073

CN(C)CCCS(=O)(=O)O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
PTGS1 P23219 1/20 0.42
PDE4A P27815 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
PAOX Q6QHF9 1/20 0.35
DNM1 Q05193 3/20 0.35
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LYPLA1 O75608 2/20 0.31

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
SCHEMBL128907 0.97 APP (0.46) APPPTGS1PDE4AALDH1A1TSHR
Water SCHEMBL21226523 0.95 APP (0.44) APPPTGS1PDE4AALDH1A1TSHR
Hydrochloric Acid SCHEMBL3148714 0.95 APP (0.44) APPPTGS1PDE4AALDH1A1TSHR
Water SCHEMBL30397698 0.93 APP (0.42) APPPTGS1PDE4AALDH1A1TSHR
Dimethylamine SCHEMBL918206 0.91 APP (0.41) APPPTGS1PDE4AALDH1A1TSHR
SCHEMBL353885 0.90 ALDH1A1 (0.48) APPPTGS1PDE4AALDH1A1TSHR
SCHEMBL28560997 0.89 APP (0.39) APPPTGS1PDE4AALDH1A1TSHR
Sulfuric Acid SCHEMBL29054592 0.88 ALDH1A1 (0.46) APPPTGS1PDE4AALDH1A1TSHR
SCHEMBL17655619 0.88 ALDH1A1 (0.52) APPPTGS1PDE4AALDH1A1TSHR
SCHEMBL2923686 0.88 ALDH1A1 (0.52) APPPTGS1PDE4AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393875-B2 Reducing islet amyloid polypeptide (IAPP) associated deposit; type II diabetes NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-07-01 US claimed
EP-1609467-A1 Compositions for treating diseases associated with glycosaminoglycan-associated molecular interactions Neurochem (International) Limited (CH) 2005-12-28 EP claimed
US-20020193395-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions QUEEN'S UNIVERSITY 2002-12-19 US claimed
EP-1100487-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS Neurochem, Inc. (CA) 2001-05-23 EP claimed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 WO claimed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions KIACTA SARL (CH) 2006-06-01 US disclosed
EP-1609467-A1 Compositions for treating diseases associated with glycosaminoglycan-associated molecular interactions Neurochem (International) Limited (CH) 2005-12-28 EP disclosed
US-20040096453-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-05-20 US disclosed
US-20020193395-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions QUEEN'S UNIVERSITY 2002-12-19 US disclosed
US-6310073-B1 ADMINISTERING TO SUBJECT THERAPEUTICALLY EFFECTIVE AMOUNT OF 3-AMINO-1-PROPANESULFONIC ACID, OR PHARMACEUTICALLY ACCEPTABLE SALT OR ESTER THEREOF, SUCH THAT GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTION IS MODULATED AND CONDITION IS TREATED QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-30 US disclosed
EP-1100487-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS Neurochem, Inc. (CA) 2001-05-23 EP disclosed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 WO 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 (4 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-20040096453-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 APP 4261/4885PTGS1 944/4885PDE4A 3957/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 APP 4399/4885PTGS1 757/4885PDE4A 3686/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 APP 4261/4885PTGS1 944/4885PDE4A 3957/4885
US-20020193395-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 APP 4399/4885PTGS1 757/4885PDE4A 3686/4885

“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.