SCHEMBL352861

SCHEMBL352861

CC(Cc1ccc(C(F)(F)F)cc1)NCCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PPARD Q03181 1/20 0.41
ADRA2C P18825 2/20 0.41
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2B P41595 2/20 0.41
USP2 O75604 2/20 0.41
NR1I2 O75469 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL353209 0.85 SIGMAR1 (0.47) SIGMAR1SLC6A4
SCHEMBL355488 0.82 SIGMAR1 (0.47) SIGMAR1SLC6A4ADRB1SLC6A2SLC6A3
SCHEMBL916682 0.82 SIGMAR1 (0.65) SIGMAR1CYP1A2CYP2D6TP53TSHR
SCHEMBL6009058 0.81 CA1 (0.40)
SCHEMBL356421 0.80 SIGMAR1 (0.60) SIGMAR1
SCHEMBL22431561 0.77 SIGMAR1 (0.71) SIGMAR1CYP3A4CYP1A2CYP2D6TP53
SCHEMBL6009391 0.76 SCN8A (0.49)
SCHEMBL22431520 0.76 SIGMAR1 (0.76) SIGMAR1CYP3A4CYP1A2CYP2D6TP53
SCHEMBL5503261 0.75 MEN1 (0.47) SIGMAR1
SCHEMBL22431529 0.75 SIGMAR1 (0.60) SIGMAR1CYP3A4CYP1A2CYP2D6TP53

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 SIGMAR1 2588/4885CYP3A4 2443/4885CYP1A2 2368/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SIGMAR1 3888/4885CYP3A4 3635/4885CYP1A2 2500/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SIGMAR1 3877/4885CYP3A4 2844/4885CYP1A2 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.