SCHEMBL3245093

SCHEMBL3245093

COc1ccc2c(c1)CCNC2CCCS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
OPRM1 P35372 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR2C P28335 1/20 0.45
GRIN2D O15399 4/20 0.44
GRIN3B O60391 4/20 0.44
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
GRIN2B Q13224 4/20 0.44
GRIN2C Q14957 4/20 0.44
GRIN3A Q8TCU5 4/20 0.44
OPRK1 P41145 1/20 0.43
KDM1A O60341 1/20 0.43
KDM4C Q9H3R0 1/20 0.41
BCHE P06276 1/20 0.40

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
SCHEMBL3243959 0.96 CA1 (0.48) CA1CA2CA7CA9CA14
SCHEMBL3246830 0.84 BCHE (0.54) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3245087 0.83 OPRM1 (0.45) CA1CA2CA7CA9CA14
SCHEMBL3245038 0.82 KDM6B (0.38) CA1CA2CA7CA9CA14
SCHEMBL3253489 0.81 BCHE (0.53) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10837762 0.81 HTR2C (0.52) CA1CA2CA7CA9CA14
SCHEMBL14355542 0.80 CA1 (0.52) CA1CA2CA7CA9CA14
SCHEMBL917364 0.80 ALDH1A1 (0.52) OPRM1OPRK1
SCHEMBL11619449 0.79 KMT2A (0.46) CA1CA2CA7CA9CA14
SCHEMBL3254053 0.78 OPRM1 (0.43) OPRM1HTR2COPRK1BCHE

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
EP-1276483-B1 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES BELLUS HEALTH INT LTD (CH) 2009-09-02 EP claimed
EP-1609467-A1 Compositions for treating diseases associated with glycosaminoglycan-associated molecular interactions Neurochem (International) Limited (CH) 2005-12-28 EP claimed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP claimed
US-20020193395-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions QUEEN'S UNIVERSITY 2002-12-19 US claimed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US claimed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO claimed
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 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
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-7311893-B2 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-12-25 US disclosed
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
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO 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 (5 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-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 CA1 720/4885CA2 2814/4885CA7 1928/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 CA1 720/4885CA2 2814/4885CA7 1928/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 CA1 383/4885CA2 929/4885CA7 264/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 CA1 403/4885CA2 1005/4885CA7 292/4885
US-20020193395-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 CA1 383/4885CA2 929/4885CA7 264/4885

“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.