SCHEMBL356423

SCHEMBL356423

COc1ccc(N(CCCS(=O)(=O)O)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MMP13 P45452 4/20 0.39
MMP1 P03956 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
USP2 O75604 1/20 0.39
MMP8 P22894 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.37
APLNR P35414 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 2/20 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
SCHEMBL353211 0.82 TAAR1 (0.40) TAAR1MMP13ALDH1A1PKMCNR2
SCHEMBL355490 0.82 TAAR1 (0.47) TAAR1ALDH1A1USP2LMNAHTT
SCHEMBL14603037 0.81 KEAP1 (0.40) KEAP1NFE2L2MMP13ALDH1A1PKM
SCHEMBL15701715 0.80 TAAR1 (0.48) TAAR1KEAP1NFE2L2MMP13USP2
SCHEMBL27516740 0.79 CNR2 (0.50) KEAP1NFE2L2ALDH1A1PKMUSP2
SCHEMBL352863 0.78 KIF11 (0.39) MMP1LMNA
SCHEMBL356422 0.78 CNR2 (0.46) KEAP1NFE2L2ALDH1A1PKMLMNA
SCHEMBL9520669 0.75 SIGMAR1 (0.51) TAAR1ALDH1A1
SCHEMBL29306671 0.73 LMNA (0.56) KEAP1NFE2L2MMP13MMP1ALDH1A1
SCHEMBL3056009 0.73 MAPT (0.50) MMP13ALDH1A1PKMMMP8LMNA

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 TAAR1 2815/4885KEAP1 343/4885NFE2L2 716/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TAAR1 2895/4885KEAP1 693/4885NFE2L2 2159/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TAAR1 2459/4885KEAP1 760/4885NFE2L2 2318/4885

“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.