SCHEMBL354792

SCHEMBL354792

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
GHSR Q92847 3/20 0.38
ALDH1A1 P00352 4/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASR P41180 4/20 0.36
CHRM2 P08172 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL10232031 0.88 ESR1 (0.43) GHSRADRB2ADRB1KMT2AMEN1
SCHEMBL10278319 0.87 GRIA4 (0.43) GHSRADRB2ADRB1
SCHEMBL10278443 0.87 GHSR (0.37) GHSRADRB2ADRB1RAB9ACASR
SCHEMBL10278340 0.87 SLC6A2 (0.40) GHSRADRB2ADRB1SMN1; SMN2CASR
SCHEMBL10278318 0.87 GHSR (0.37) GHSRADRB2ADRB1CASR
SCHEMBL6010000 0.87 CASR (0.42) HPGDGHSRALDH1A1ADRB2ADRB1
SCHEMBL10278357 0.87 CASR (0.46) ALDH1A1ADRB2CASRKMT2AMEN1
SCHEMBL10232137 0.86 NPC1 (0.40) HPGDALDH1A1ADRB2ADRB1NPC1
SCHEMBL355745 0.85 CASR (0.51) ALDH1A1ADRB2CASR
SCHEMBL10278527 0.83 ADRB2 (0.40) ALDH1A1ADRB2ADRB1CASRKMT2A

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 28 patents — showing the first 20. 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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
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-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 US disclosed
US-7414076-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-08-19 US disclosed
US-7414076-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-08-19 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 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
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 (5 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 HPGD 1716/4885GHSR 3493/4885ALDH1A1 2230/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HPGD 1438/4885GHSR 2693/4885ALDH1A1 2989/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HPGD 1438/4885GHSR 2693/4885ALDH1A1 2989/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HPGD 1438/4885GHSR 2693/4885ALDH1A1 2989/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 HPGD 1438/4885GHSR 2693/4885ALDH1A1 2989/4885

“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.