SCHEMBL917675

SCHEMBL917675

O=S(=O)(O)CCCNC1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
HTT P42858 2/20 0.49
EPHX2 P34913 2/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL10230989 0.97 ALDH1A1 (0.53) ALDH1A1MAOAMAOBHTTEPHX2
SCHEMBL10230666 0.92 MAOA (0.60) ALDH1A1MAOAMAOBHTTEPHX2
SCHEMBL918896 0.92 MAOA (0.60) ALDH1A1MAOAMAOBHTTEPHX2
SCHEMBL917662 0.92 MAOA (0.60) ALDH1A1MAOAMAOBHTTEPHX2
SCHEMBL14969305 0.83 ALDH1A1 (0.57) ALDH1A1HTTEPHX2KDM4EHPGD
SCHEMBL14969304 0.82 ALDH1A1 (0.56) ALDH1A1HTTEPHX2KDM4ELMNA
SCHEMBL8517647 0.81 HTT (0.56) ALDH1A1MAOAMAOBHTTKDM4E
SCHEMBL390761 0.80 HTR2C (0.60) ALDH1A1HTTEPHX2KDM4EHPGD
SCHEMBL18995758 0.80 ALDH1A1 (0.60) ALDH1A1MAOAMAOBHTTKDM4E
SCHEMBL7226538 0.79 ALDH1A1 (0.59) ALDH1A1MAOAMAOBHTTEPHX2

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
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US claimed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US claimed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US 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-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US 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-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-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
US-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-22 US disclosed
EP-1658264-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2006-05-24 EP 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
US-20050038117-A1 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-02-17 US disclosed
WO-2004113277-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO 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 (6 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-20050038117-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 ALDH1A1 2926/4885MAOA 233/4885MAOB 226/4885
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS ALDH1A1 78/4885MAOA 4229/4885MAOB 3813/4885
US-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases APP, PSEN1, PSEN2 ALDH1A1 2926/4885MAOA 233/4885MAOB 226/4885
US-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases APP, IAPP, BACE1 ALDH1A1 4695/4885MAOA 1395/4885MAOB 914/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS ALDH1A1 78/4885MAOA 4229/4885MAOB 3813/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS ALDH1A1 78/4885MAOA 4229/4885MAOB 3813/4885

“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.