SCHEMBL918441

SCHEMBL918441

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
TP53 P04637 1/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
APP P05067 1/20 0.34
PPARA Q07869 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL918467 1.00 EPHX2 (0.41) EPHX2TP53CA1CA2S1PR2
SCHEMBL3605998 1.00 EPHX2 (0.41) EPHX2TP53CA1CA2S1PR2
SCHEMBL917885 0.93 EPHX2 (0.41) EPHX2TP53CA1CA2S1PR2
SCHEMBL3595904 0.85 EPHX2 (0.39) EPHX2TP53CA1CA2S1PR2
SCHEMBL916715 0.85 EPHX2 (0.39) EPHX2TP53CA1CA2S1PR2
SCHEMBL918213 0.85 EPHX2 (0.39) EPHX2TP53CA1CA2S1PR2
SCHEMBL4938031 0.82 ALDH1A1 (0.43) DPP7MEN1KMT2AEPHX1KDM4E
SCHEMBL355688 0.81 EPHX2 (0.37) EPHX2TP53CA1CA2S1PR2
SCHEMBL10230802 0.80 LMNA (0.41) EPHX2TP53CA1CA2S1PR2
SCHEMBL355093 0.80 EPHX2 (0.40) EPHX2TP53CA1CA2S1PR2

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 15 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
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
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US 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-20090099100-A1 Compositions and methods for treating amyloidosis BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-04-16 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
US-20040198832-A1 Compositions and methods for treating amyloidosis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-10-07 US disclosed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 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 (8 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 2293/4885TP53 255/4885CA1 1135/4885
US-20090099100-A1 Compositions and methods for treating amyloidosis TTR, SNCA, ARSA EPHX2 3145/4885TP53 595/4885CA1 326/4885
US-20110281951-A1 Compositions and methods for treating amyloidosis TTR, SNCA, ARSA EPHX2 3145/4885TP53 595/4885CA1 326/4885
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 EPHX2 1099/4885TP53 721/4885CA1 720/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 EPHX2 1099/4885TP53 721/4885CA1 720/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS EPHX2 2293/4885TP53 255/4885CA1 1135/4885
US-20040198832-A1 Compositions and methods for treating amyloidosis TTR, APP, CRYAA EPHX2 2816/4885TP53 765/4885CA1 189/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS EPHX2 2293/4885TP53 255/4885CA1 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.