SCHEMBL353211

SCHEMBL353211

CC(C)N(CCCS(=O)(=O)O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 1/20 0.34
MCL1 Q07820 1/20 0.34
KCNA3 P22001 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
CYP3A4 P08684 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL355490 0.84 TAAR1 (0.47) TAAR1ALDH1A1MAPTCNR2CA1
SCHEMBL352863 0.84 KIF11 (0.39) CA1CA2MMP2MMP9
SCHEMBL356423 0.82 TAAR1 (0.43) TAAR1ALDH1A1CNR2PKMMMP13
SCHEMBL353210 0.77 CNR2 (0.44) ALDH1A1MAPTCNR2KMT2AMEN1
SCHEMBL354691 0.75 TAAR1 (0.52) TAAR1ALDH1A1MAPTPER2CRY1
SCHEMBL13851591 0.73 TAAR1 (0.46) TAAR1ALDH1A1MAPTCA2KMT2A
SCHEMBL15384950 0.73 TAAR1 (0.41) TAAR1S1PR1ALDH1A1MAPTCA1
SCHEMBL17922210 0.72 TAAR1 (0.40) TAAR1S1PR1ALDH1A1MAPTCA1
SCHEMBL10768428 0.72 S100B (0.41) S1PR1ALDH1A1CYP3A4TSHR
SCHEMBL7485101 0.71 MCHR1 (0.49) ALDH1A1CYP3A4

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 2815/4885S1PR1 4034/4885ALDH1A1 2230/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TAAR1 2895/4885S1PR1 3406/4885ALDH1A1 2989/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TAAR1 2459/4885S1PR1 3421/4885ALDH1A1 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.