SCHEMBL355232

SCHEMBL355232

NCCC(Cc1cc2ccccc2s1)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
ASIC3 Q9UHC3 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
AGXT P21549 1/20 0.43
CA2 P00918 2/20 0.41
ADRB2 P07550 1/20 0.40
MMP1 P03956 1/20 0.38
FCER2 P06734 1/20 0.38
SLC9A1 P19634 1/20 0.38
ALOX5 P09917 3/20 0.36
CYP1A2 P05177 2/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
ALOX5AP P20292 1/20 0.36
LOX P28300 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL27706127 0.73 CYP2A6 (0.50) CYP2A6ASIC3LOXL2AGXTCA2
SCHEMBL354879 0.73 CYP2C19 (0.47) CA2LMNALOXCA1CA9
SCHEMBL353773 0.71 ALPI (0.43) CA2CYP1A2LMNAGAACA1
SCHEMBL16461209 0.70 CYP2A6 (0.58) CYP2A6ASIC3LOXL2AGXTCA2
SCHEMBL4626056 0.70 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTCA2
SCHEMBL1062090 0.70 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTCA2
SCHEMBL514507 0.70 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTCA2
Hydrochloric Acid SCHEMBL28235220 0.70 CYP2A6 (0.61) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL4889443 0.69 CYP2A6 (0.71) CYP2A6ASIC3LOXL2AGXTCA2
SCHEMBL240588 0.69 CYP2A6 (1.00) CYP2A6ASIC3LOXL2AGXTCA2

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 15 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-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 CYP2A6 3307/4885ASIC3 3420/4885LOXL2 2412/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CYP2A6 2734/4885ASIC3 2709/4885LOXL2 1140/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CYP2A6 1807/4885ASIC3 2656/4885LOXL2 1351/4885

“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.