SCHEMBL916840

SCHEMBL916840

O=S(=O)(O)CCCNCc1ccc(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
PTGS2 P35354 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SLC2A1 P11166 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL13330291 0.97 ADRB2 (0.47) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL14241210 0.86 ADRB2 (0.64) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL30225109 0.86 ADRB2 (0.64) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL912290 0.82 ARG1 (0.50) ARG1ERCC1ERCC4ALOX15IGF1R
SCHEMBL16472022 0.79 SLC2A1 (0.44) HRH3SLC2A1
SCHEMBL21171984 0.79 NPY5R (0.64) SLC2A1BCHEACHEMAPK1CA1
SCHEMBL6009935 0.78 CHRM2 (0.66) KCNH2ACHECA1CA2CA4
SCHEMBL10025755 0.78 TRPV1 (0.60) ADRB2ADORA3CHRM1ADRA2BADRA2C
SCHEMBL355305 0.78 CHRM2 (0.66) HRH3SLC2A1CYP1A2CA1CA2
SCHEMBL27941504 0.78 CHRM2 (0.66) HRH3CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101597196-B Improved drug candidate and preparation method thereof JIYAKETA CO., LTD. (CH) 2016-05-04 CN disclosed
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-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-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-22 US disclosed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
EP-1644325-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2006-04-12 EP 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
WO-2004113275-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-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases APP, IAPP, BACE1 ADRB2 661/4885ADORA3 2775/4885CHRM1 1482/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS ADRB2 3721/4885ADORA3 1223/4885CHRM1 4424/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ADRB2 1298/4885ADORA3 1956/4885CHRM1 1521/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ADRB2 1298/4885ADORA3 1956/4885CHRM1 1521/4885
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 ADRB2 1298/4885ADORA3 1956/4885CHRM1 1521/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 ADRB2 1298/4885ADORA3 1956/4885CHRM1 1521/4885

“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.