SCHEMBL918213

SCHEMBL918213

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
APP P05067 1/20 0.37
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
PPARA Q07869 2/20 0.31
LMNA P02545 3/20 0.31
CNR1 P21554 1/20 0.31
ADRA1A P35348 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TLR2 O60603 1/20 0.31
TP53 P04637 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
ABCC3 O15438 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3595904 1.00 EPHX2 (0.39) EPHX2APPCA1CA2PPARA
SCHEMBL916715 1.00 EPHX2 (0.39) EPHX2APPCA1CA2PPARA
SCHEMBL3605998 0.85 EPHX2 (0.41) EPHX2APPCA1CA2PPARA
SCHEMBL917885 0.85 EPHX2 (0.41) EPHX2APPCA1CA2PPARA
SCHEMBL918441 0.85 EPHX2 (0.41) EPHX2APPCA1CA2PPARA
SCHEMBL918467 0.85 EPHX2 (0.41) EPHX2APPCA1CA2PPARA
SCHEMBL5790232 0.82 ALDH1A1 (0.36) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL917679 0.82 LMNA (0.46) EPHX2APPCA1CA2LMNA
SCHEMBL4201284 0.80 ALDH1A1 (0.39) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL4205138 0.80 ALDH1A1 (0.39) LMNACNR1ADRA1ATDP1KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281951-A1 Compositions and methods for treating amyloidosis BHI LIMITED PARTNERSHIP (CA) 2011-11-17 US claimed
JP-4726304-B2 2011-07-20 JP claimed
EP-1276483-B1 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES BELLUS HEALTH INT LTD (CH) 2009-09-02 EP claimed
US-20090099100-A1 Compositions and methods for treating amyloidosis BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-04-16 US claimed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US claimed
JP-2003517458-A 2003-05-27 JP claimed
EP-1276483-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-01-22 EP claimed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US claimed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 WO claimed
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-7311893-B2 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-12-25 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US disclosed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 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 (7 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS EPHX2 2293/4885APP 86/4885CA1 1135/4885
US-20090099100-A1 Compositions and methods for treating amyloidosis TTR, SNCA, ARSA EPHX2 3145/4885APP 5/4885CA1 326/4885
US-20110281951-A1 Compositions and methods for treating amyloidosis TTR, SNCA, ARSA EPHX2 3145/4885APP 5/4885CA1 326/4885
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 EPHX2 1099/4885APP 1/4885CA1 720/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 EPHX2 1099/4885APP 1/4885CA1 720/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS EPHX2 2293/4885APP 86/4885CA1 1135/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS EPHX2 2293/4885APP 86/4885CA1 1135/4885

“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.