SCHEMBL923059

SCHEMBL923059

O=S(=O)([O-])OS(=O)(=O)OCCCO.[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.30
CA2 known ✓ P00918 1/20 0.30
RECQL P46063 2/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
CA9 Q16790 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
SCHEMBL921710 0.94 RECQL (0.42) RECQLTSHRGLAHPGDMAPK1
SCHEMBL924012 0.87 RECQL (0.33) RECQLTSHRGLAHPGDMAPK1
SCHEMBL710962 0.79 CA1 (0.39) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL920407 0.78 CA1 (0.32) TSHRKDM4EUSP2ALDH1A1LMNA
1,4-Butanediol SCHEMBL921712 0.77 TSHR (0.35) RECQLTSHRGLAHPGDMAPK1
1,3-Propanediol SCHEMBL923061 0.77 TSHR (0.35) RECQLTSHRGLAHPGDMAPK1
SCHEMBL2750584 0.77 CA1 (0.31) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL2906552 0.76 RECQL (0.71) RECQLTSHRGLAHPGDMAPK1
SCHEMBL17443155 0.75 CA1 (0.36) TSHRMAPK1KDM4EUSP2ALDH1A1
SCHEMBL27924570 0.74 RECQL (0.38) RECQLTSHRGLAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002875-A1 METHOD FOR TREATING AMYLOIDOSIS BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2011-01-06 US disclosed
US-7754761-B2 Sulfonated compounds and compositions for treating amyloidosis BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-13 US disclosed
US-20070265334-A1 Method for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-11-15 US disclosed
US-20060167095-A1 Method for treating amyloidosis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-07-27 US disclosed
EP-1614432-A2 Method for treating amyloidosis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-11 EP disclosed
EP-0814842-B1 METHOD FOR TREATING AMYLOIDOSIS UNIV KINGSTON (CA) 2005-10-12 EP disclosed
US-20040208875-A1 Method for treating amyloidosis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-10-21 US disclosed
US-20030108595-A1 Method for treating amyloidosis QUEEN'S UNIVERSITY AT KINGSTON 2003-06-12 US disclosed
US-20010048941-A1 Method for treating amyloidosis QUEEN'S UNIVERSITY OF KINGSTON 2001-12-06 US disclosed
US-5972328-A INHIBITING AMYLOID DEPOSITION BY ADMINISTERING GLYCEROL TRISULFURIC ACID OR PHARMACEUTICALLY ACCEPTABLE SALT QUEEN'S UNIVERSITY AT KINGSTON (CA) 1999-10-26 US disclosed
US-5858326-A CONTACTING AMYLOIDOGENIC PEPTIDE WITH AMYLOID-ENHANCING COMPOUND COMPRISING AROMATIC MOIETY AND AT LEAST TWO ANIONIC MOIETIES IN VITRO TO FORM AMYLOID FIBRILS NEUROCHEM, INC. (CA) 1999-01-12 US disclosed
US-5840294-A INHIBITING AMYLOID DEPOSITION BY ADMINISTERING A THERAPEUTIC COMPOUND COMPRISING AN ANIONIC GROUP AND A CARRIER MOLECULE QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-11-24 US disclosed
US-5728375-A ADMINISTERING A COMPOUND COMPRISING AN ANIONIC GROUP AND A CARRIER MOLECULE; INHIBITS DEPOSITION BY PREVENTING INTERACTION BETWEEN AN AMYLOIDOGENIC PROTEIN AND A BASEMENT MEMBRANE CONSTITUENT QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-03-17 US disclosed
EP-0814842-A1 METHOD FOR TREATING AMYLOIDOSIS Queen's University at Kingston (CA) 1998-01-07 EP disclosed
US-5643562-A ANTIDEPOSIT AGENTS FOR PROTEINS FOR MEDICAL DIAGNOSIS OF DISEASES QUEEN'S UNIVERSITY OF KINGSTON (CA) 1997-07-01 US disclosed
WO-1996039129-A1 METHODS OF INCREASING AMYLOID DEPOSITION QUEEN'S UNIVERSITY AT KINGSTON (CA) 1996-12-12 WO disclosed
WO-1996028187-A1 METHOD FOR TREATING AMYLOIDOSIS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1996-09-19 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 (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-20060167095-A1 Method for treating amyloidosis TTR, IAPP, APP CA1 438/4885CA2 716/4885RECQL 3591/4885
US-20070265334-A1 Method for treating amyloidosis TTR, IAPP, APP CA1 438/4885CA2 716/4885RECQL 3591/4885
US-20030108595-A1 Method for treating amyloidosis TTR, IAPP, APP CA1 438/4885CA2 716/4885RECQL 3591/4885
US-20010048941-A1 Method for treating amyloidosis TTR, APOB, NEFM CA1 366/4885CA2 821/4885RECQL 4083/4885
US-20040208875-A1 Method for treating amyloidosis TTR, IAPP, APP CA1 438/4885CA2 716/4885RECQL 3591/4885
US-20110002875-A1 METHOD FOR TREATING AMYLOIDOSIS TTR, IAPP, APP CA1 438/4885CA2 716/4885RECQL 3591/4885

“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.