SCHEMBL917554

SCHEMBL917554

O=S(=O)(O)CCCCNc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
ACHE P22303 4/20 0.39
F2 P00734 5/20 0.39
MDM2 Q00987 1/20 0.38
PRSS1 P07477 3/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
ST14 Q9Y5Y6 2/20 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
SCHEMBL917421 0.96 FDPS (0.41) FDPSACHEF2MDM2PRSS1
SCHEMBL4749229 0.89 F2 (0.43) FDPSF2MDM2
SCHEMBL1607864 0.81 ALDH1A1 (0.59) ACHEF2PRSS1ALDH1A1MAPT
SCHEMBL1606652 0.80 ALDH1A1 (0.57) ACHEF2PRSS1ALDH1A1MAPT
SCHEMBL1607454 0.80 ALDH1A1 (0.57) ACHEF2PRSS1ALDH1A1MAPT
SCHEMBL8969604 0.80 ALDH1A1 (0.57) ACHEF2PRSS1ALDH1A1MAPT
SCHEMBL8969772 0.80 ALDH1A1 (0.57) ACHEF2PRSS1ALDH1A1MAPT
SCHEMBL10001896 0.80 ALDH1A1 (0.46) F2PRSS1ALDH1A1MAPTPRSS2
SCHEMBL1607516 0.80 ALDH1A1 (0.57) ACHEF2PRSS1ALDH1A1MAPT
SCHEMBL17195403 0.79 MAPT (0.55) F2PRSS1ALDH1A1MAPTPRSS2

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
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US 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
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
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US 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-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 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
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US 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 (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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS FDPS 191/4885ACHE 3404/4885F2 3373/4885
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases APP, PSEN1, PSEN2 FDPS 1818/4885ACHE 14/4885F2 3587/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS FDPS 191/4885ACHE 3404/4885F2 3373/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS FDPS 191/4885ACHE 3404/4885F2 3373/4885
US-20080015180-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 FDPS 1818/4885ACHE 14/4885F2 3587/4885

“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.