SCHEMBL355003

SCHEMBL355003

COC(=O)[C@@H](C)NCCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.46
CA12 O43570 3/20 0.38
TSHR P16473 2/20 0.36
APP P05067 1/20 0.33
EPHX2 P34913 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TLR2 O60603 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MME P08473 1/20 0.31
FURIN P09958 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GRIA1 P42261 3/20 0.31
BIRC2 Q13490 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL352762 0.86 SMN1; SMN2 (0.35) CA14CA12TSHRAPPEPHX2
SCHEMBL12226376 0.84 APP (0.39) CA14APPEPHX2TLR2GRIA1
SCHEMBL10230705 0.84 APP (0.39) CA14APPEPHX2TLR2GRIA1
SCHEMBL10230718 0.83 CA12 (0.41) CA14CA12CA7CA9MEN1
SCHEMBL354950 0.83 CA12 (0.41) CA14CA12CA7CA9MEN1
SCHEMBL12226373 0.83 CA14 (0.49) CA14CA12TSHRAPPEPHX2
SCHEMBL354836 0.83 CA14 (0.49) CA14CA12TSHRAPPEPHX2
SCHEMBL353711 0.81 APP (0.35) TSHRAPPEPHX2SMN1; SMN2MME
SCHEMBL354966 0.80 FOLH1 (0.39) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL352674 0.80 FOLH1 (0.39) CA14CA12CA7CA9SMN1; SMN2

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 32 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
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP 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-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
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 CA14 4057/4885CA12 4047/4885TSHR 4277/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CA14 1216/4885CA12 998/4885TSHR 4779/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS CA14 2612/4885CA12 1882/4885TSHR 4762/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CA14 1216/4885CA12 998/4885TSHR 4779/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CA14 1216/4885CA12 998/4885TSHR 4779/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 CA14 1216/4885CA12 998/4885TSHR 4779/4885

“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.