SCHEMBL918896

SCHEMBL918896

O=S(=O)(O)CCCN[C@@H]1CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
BCHE P06276 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ACHE P22303 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR6 P50406 1/20 0.50
PDPK1 O15530 1/20 0.46
EPHX2 P34913 2/20 0.46
HTR2C P28335 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 2/20 0.43
SLC18A3 Q16572 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
FADS1 O60427 1/20 0.41

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
SCHEMBL10230666 1.00 MAOA (0.60) MAOAMAOBCA1CA2BCHE
SCHEMBL917662 1.00 MAOA (0.60) MAOAMAOBCA1CA2BCHE
SCHEMBL917675 0.92 ALDH1A1 (0.53) MAOAMAOBEPHX2ALDH1A1TSHR
SCHEMBL10230989 0.89 ALDH1A1 (0.53) MAOAMAOBEPHX2ALDH1A1TSHR
SCHEMBL10232570 0.82 MAOB (0.43) MAOAMAOBCA1CA2HTR6
SCHEMBL355939 0.82 MAOA (0.43) MAOAMAOBBCHEACHE
SCHEMBL354843 0.82 HTR6 (0.48) MAOAMAOBCA1CA2HTR6
Rasagiline SCHEMBL2553678 0.80 MAOA (0.88) MAOAMAOBCA1CA2BCHE
SCHEMBL355826 0.80 GRIN2B (0.47) MAOAMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL6923878 0.80 MAOA (0.59) MAOAMAOBCA1CA2BCHE

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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-7414076-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-08-19 US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US disclosed
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2005-05-05 US 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-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS MAOA 4229/4885MAOB 3813/4885CA1 1135/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 MAOA 217/4885MAOB 208/4885CA1 582/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS MAOA 4229/4885MAOB 3813/4885CA1 1135/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 MAOA 217/4885MAOB 208/4885CA1 582/4885
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 MAOA 217/4885MAOB 208/4885CA1 582/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 MAOA 217/4885MAOB 208/4885CA1 582/4885

“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.