SCHEMBL355325

SCHEMBL355325

CC(C)C[C@H](N)CCS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
ANPEP P15144 4/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
LMNA P02545 2/20 0.37
SLC6A6 P31641 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
GMNN O75496 1/20 0.37
MAPT P10636 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL356000 1.00 S1PR2 (0.41) S1PR2S1PR1S1PR3ANPEPERAP1
SCHEMBL354858 1.00 S1PR2 (0.41) S1PR2S1PR1S1PR3ANPEPERAP1
SCHEMBL12227012 0.86 TP53 (0.41) S1PR2S1PR1S1PR3ANPEPERAP1
SCHEMBL2168457 0.85 S1PR2 (0.41) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL2168093 0.85 S1PR2 (0.41) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL15980693 0.80 ANPEP (0.41) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL475492 0.77 S1PR2 (0.47) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL8370891 0.77 PTGS1 (0.35) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL6034381 0.77 ANPEP (0.42) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL27320171 0.77 ANPEP (0.42) ANPEPERAP1ERAP2TSHRCYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836161-B1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LTD PARTNERSHIP (CA) 2016-07-20 EP disclosed
EP-1836161-B1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LTD PARTNERSHIP (CA) 2016-07-20 EP 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-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
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-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 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
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
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 S1PR2 4295/4885S1PR1 4034/4885S1PR3 4317/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 S1PR2 3521/4885S1PR1 3406/4885S1PR3 3633/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 S1PR2 3632/4885S1PR1 3421/4885S1PR3 3700/4885

“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.