SCHEMBL353210

SCHEMBL353210

CCCN(CCCS(=O)(=O)O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 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
SCHEMBL355489 0.85 CNR2 (0.44) CNR2TDP1ALDH1A1KDM4EGAA
SCHEMBL352862 0.84 RORC (0.47) TDP1MAPK1MEN1KMT2A
SCHEMBL356422 0.82 CNR2 (0.46) CNR2ALDH1A1GAAMAPTMAPK1
SCHEMBL16746560 0.81 CYP19A1 (0.40) CNR2ALDH1A1KDM4EGAAMAPT
SCHEMBL13675162 0.80 ALDH1A1 (0.47) CNR2POLBAPEX1TDP1ALDH1A1
SCHEMBL11219468 0.79 S100B (0.51) CNR2POLBTDP1ALDH1A1KDM4E
SCHEMBL13086215 0.79 CNR2 (0.41) CNR2ALDH1A1MAPTCNR1MEN1
SCHEMBL6812406 0.79 CYP3A4 (0.44) CNR2POLBTDP1ALDH1A1KDM4E
SCHEMBL354690 0.78 MAPT (0.50) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL6048258 0.78 HTR7 (0.54) POLBALDH1A1KDM4EGAAHTR7

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 CNR2 4105/4885POLB 3444/4885APEX1 2942/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CNR2 3104/4885POLB 1674/4885APEX1 3342/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CNR2 3397/4885POLB 1688/4885APEX1 3738/4885

“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.