SCHEMBL354403

SCHEMBL354403

CC(CNCCCS(=O)(=O)O)c1ccco1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CHRM2 P08172 1/20 0.36
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 4/20 0.33
HTT P42858 2/20 0.33
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL20093617 0.79 HDAC3 (0.41) LMNANPSR1ALDH1A1CHRM2GAA
SCHEMBL5332387 0.74 LMNA (0.39) CA2LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL354774 0.74 CHRM2 (0.68) CA2ALDH1A1CHRM2POLB
SCHEMBL5503364 0.73 CA2 (0.40) CA2LMNAALDH1A1CHRM2PKM
SCHEMBL20093616 0.72 KMT2A (0.36) LMNAALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL917453 0.71 CA2 (0.46) CA2LMNAPKM
SCHEMBL5332672 0.71 CA2 (0.40) CA2ALOX5
SCHEMBL6009871 0.70 CA1 (0.44) CA2ALDH1A1GAAMAPK1TP53
SCHEMBL353848 0.70 SLC2A1 (0.38) CA2ALDH1A1
SCHEMBL918439 0.70 KMT2A (0.38) CA2LMNAALDH1A1GAAPKM

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 CA2 2710/4885LMNA 478/4885NPSR1 2461/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CA2 1085/4885LMNA 71/4885NPSR1 2840/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CA2 1405/4885LMNA 89/4885NPSR1 2950/4885

“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.