SCHEMBL355488

SCHEMBL355488

CC(Cc1ccc(Cl)cc1)NCCCS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.47
SLC2A1 P11166 2/20 0.45
ACACB O00763 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
SLC6A4 P31645 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL353209 0.86 SIGMAR1 (0.47) SIGMAR1SLC6A4
SCHEMBL916682 0.85 SIGMAR1 (0.65) SIGMAR1ADRB2ADRB1SLC6A4SLC6A2
SCHEMBL354689 0.85 SLC2A1 (0.54) SIGMAR1SLC2A1ADRB2ADRB1ADRB3
SCHEMBL356421 0.83 SIGMAR1 (0.60) SIGMAR1SLC2A1ACACBADRB2ADRB3
SCHEMBL352861 0.82 SIGMAR1 (0.46) SIGMAR1ADRB1SLC6A4SLC6A2SLC6A3
SCHEMBL353073 0.79 GABBR2 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL354128 0.79 GABBR2 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL10278338 0.77 PTGES2 (0.32) ACACBSLC6A2SLC6A3
SCHEMBL10278351 0.77 PTGES2 (0.32) ACACBSLC6A2SLC6A3
SCHEMBL10277783 0.75 CYP1A2 (0.36)

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 7 patents. 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-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 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 (3 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 SIGMAR1 2588/4885SLC2A1 1646/4885ACACB 408/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SIGMAR1 3888/4885SLC2A1 1749/4885ACACB 115/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SIGMAR1 3877/4885SLC2A1 2253/4885ACACB 145/4885

“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.