SCHEMBL353200

SCHEMBL353200

N#CC(CO)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
CTSC P53634 4/20 0.44
CYP1A2 P05177 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.41
MAOB P27338 1/20 0.41
ANPEP P15144 1/20 0.40
CTSL P07711 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CTSB P07858 1/20 0.40
GAA P10253 1/20 0.40
NPBWR1 P48145 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39

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
SCHEMBL11040175 0.88 CTSS (0.44) TRPA1CTSCCTSSCTSKANPEP
SCHEMBL1343851 0.87 EPHX1 (0.48) CTSCCYP1A2CTSSCTSKEPHX1
SCHEMBL2575732 0.80 SLC6A4 (0.45) CTSCCYP1A2MAOBKMT2A
SCHEMBL5501854 0.80 TRPA1 (0.52) TRPA1CYP1A2CTSSCTSKMAOB
SCHEMBL11252980 0.79 CTSC (0.47) CTSCEPHX1MAOBANPEPALPI
SCHEMBL31118140 0.79 CTSC (0.46) TRPA1CTSCCTSSCTSKEPHX1
SCHEMBL22605375 0.79 TRPA1 (0.48) TRPA1CYP1A2EPHX1TSHRMAOB
SCHEMBL10701497 0.78 EPHX1 (0.40) CTSCCYP1A2CTSSCTSKEPHX1
SCHEMBL27493657 0.76 EPHX1 (0.39) CTSCCYP1A2CTSSCTSKEPHX1
SCHEMBL2086061 0.76 TDP1 (0.40) TRPA1CTSCCYP1A2CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105738500-B A kind of quantitative chemical analysis method of no reference substance 北京理工大学 2018-01-12 CN 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-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
CN-101128421-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-20 CN 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 TRPA1 3657/4885CTSC 172/4885CYP1A2 2368/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TRPA1 4441/4885CTSC 239/4885CYP1A2 2500/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TRPA1 4439/4885CTSC 310/4885CYP1A2 1579/4885

“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.