SCHEMBL356422

SCHEMBL356422

CCCN(CCCS(=O)(=O)O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
PPARG P37231 1/20 0.40
CNR1 P21554 3/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
BMP1 P13497 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
PKM P14618 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL27516740 0.90 CNR2 (0.50) CNR2ALDH1A1GAAMAPTMAPK1
SCHEMBL355489 0.82 CNR2 (0.44) CNR2ALDH1A1GAACNR1
SCHEMBL353210 0.82 CNR2 (0.44) CNR2ALDH1A1GAAMAPTMAPK1
SCHEMBL3945201 0.81 CA12 (0.48) CNR2ALDH1A1GAAMAPTMAPK1
SCHEMBL13979767 0.80 SLC16A3 (0.42) CNR2ALDH1A1GAAMAPTGFER
SCHEMBL14603037 0.79 KEAP1 (0.40) CNR2ALDH1A1GAAKEAP1NFE2L2
SCHEMBL241158 0.79 MTNR1A (0.40) ALDH1A1SLC16A3SLC16A1
SCHEMBL16746560 0.79 CYP19A1 (0.40) CNR2ALDH1A1GAAMAPTSLC16A3
SCHEMBL352862 0.79 RORC (0.47) MAPK1
SCHEMBL9127195 0.78 PDE4B (0.51) CNR2ALDH1A1MAPTSMN1; SMN2PPARG

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 5 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
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

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 CNR2 4105/4885ALDH1A1 2230/4885GAA 79/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CNR2 3104/4885ALDH1A1 2989/4885GAA 19/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CNR2 3397/4885ALDH1A1 3131/4885GAA 19/4885

“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.