SCHEMBL5740070

SCHEMBL5740070

COC(=O)C1Cc2ccccc2CN1CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.43
MMP3 P08254 4/20 0.43
PTPN1 P18031 1/20 0.41
MMP2 P08253 1/20 0.41
ANPEP P15144 1/20 0.41
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1D1 P20393 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MMP9 P14780 2/20 0.38
MMP1 P03956 1/20 0.38
ADAM17 P78536 1/20 0.38
ADAM9 Q13443 1/20 0.38
CYP19A1 P11511 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL3249761 0.85 ACE (0.46) MMP8MMP3ACE
SCHEMBL3240479 0.81 MMP9 (0.43) MMP3MMP9MMP1ADAM17ADAM9
SCHEMBL28058014 0.80 MMP2 (0.38) MMP8MMP3MMP2ANPEPMMP9
SCHEMBL6369530 0.79 NR1D1 (0.45) MMP3GLAHTTCYP1A2CYP2C19
SCHEMBL12125014 0.79 NR1D1 (0.45) MMP3GLAHTTCYP1A2CYP2C19
SCHEMBL6962464 0.79 SLC6A4 (0.46) HTTCYP1A2NPSR1
SCHEMBL7332043 0.77 CYP19A1 (0.42) MMP3MMP2ANPEPCYP1A2CYP2C19
SCHEMBL13545530 0.75 CHEK1 (0.46) MMP3MMP2ANPEPNR1D1MMP9
SCHEMBL12992250 0.75 CHEK1 (0.46) MMP3MMP2ANPEPNR1D1MMP9
SCHEMBL29177033 0.73 CHEK1 (0.47) MMP3MMP2ANPEPNR1D1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 US disclosed
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 US disclosed
CN-101597196-A Improved drug candidate and preparation method thereof BELLUS HEALTH INTERNAT LTD (CH) 2009-12-09 CN disclosed
US-7598269-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-10-06 US disclosed
US-7598269-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-10-06 US disclosed
CN-100528840-C Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2009-08-19 CN disclosed
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-17 US disclosed
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-17 US disclosed
US-7244764-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-07-17 US disclosed
US-7244764-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-07-17 US disclosed
CN-1839117-A Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2006-09-27 CN disclosed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 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 (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-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases APP, PSEN1, PSEN2 MMP8 760/4885MMP3 1266/4885PTPN1 4593/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 MMP8 760/4885MMP3 1266/4885PTPN1 4593/4885

“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.