SCHEMBL353816

SCHEMBL353816

NCCC(C(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CYP1A2 P05177 1/20 0.39
MMP2 P08253 2/20 0.39
LAP3 P28838 3/20 0.39
ANPEP P15144 1/20 0.39
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SRR Q9GZT4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
GFER P55789 1/20 0.38
PMP22 Q01453 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
SCHEMBL353773 0.79 ALPI (0.43) ALPIPKMPTGS1XIAPSLC7A5
Ammonia Solution, Strong SCHEMBL27610656 0.77 CSNK1E (0.50) MMP2
SCHEMBL10232512 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL16219784 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL353761 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL10232490 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAGAAMAPT
Ammonia Solution, Strong SCHEMBL27610652 0.73 CA1 (0.44) ALDH1A1SLC1A1
Ammonia Solution, Strong SCHEMBL27629674 0.73 PPARG (0.43) LMNA
SCHEMBL27683551 0.72 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16679564 0.72 CYP1A2 (0.44) ALPIPKMPTGS1XIAPSLC7A5

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 ALPI 1636/4885PKM 1770/4885PTGS1 1234/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ALPI 332/4885PKM 2493/4885PTGS1 1584/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ALPI 352/4885PKM 2249/4885PTGS1 1850/4885

“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.