SCHEMBL354690

SCHEMBL354690

CCCN(CCCS(=O)(=O)O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HDAC6 Q9UBN7 4/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6048258 0.86 HTR7 (0.54) HTR7ALDH1A1
SCHEMBL355489 0.84 CNR2 (0.44) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL9761450 0.84 MAPT (0.61) MAPTALDH1A1MEN1KMT2ATAAR1
SCHEMBL10797168 0.81 MAPT (0.50) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL11133767 0.80 MAPT (0.65) MAPTHTR7ALDH1A1HPGDKMT2A
SCHEMBL9487613 0.80 CYP1A2 (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL354691 0.79 TAAR1 (0.52) MAPTHTR7ALDH1A1MEN1KMT2A
SCHEMBL27960646 0.78 CYP1A2 (0.42) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL353210 0.78 CNR2 (0.44) MAPTHTR7ALDH1A1HPGDMEN1
SCHEMBL10799269 0.78 MAPT (0.54) MAPTALDH1A1MEN1KMT2ATAAR1

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 MAPT 12/4885HTR7 3594/4885ALDH1A1 2230/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 MAPT 14/4885HTR7 2021/4885ALDH1A1 2989/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 MAPT 13/4885HTR7 1790/4885ALDH1A1 3131/4885

“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.