SCHEMBL3563111

SCHEMBL3563111

O=C([O-])CCS(=O)(=O)O.O=C([O-])CCS(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.43

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.40
PTGS1 known ✓ P23219 1/20 0.39
PDE4A known ✓ P27815 1/20 0.39
CA4 known ✓ P22748 2/20 0.38
FFAR3 O14843 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
LMNA P02545 1/20 0.39
SLC6A6 P31641 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
CASP1 P29466 1/20 0.36
APP P05067 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
APEX1 P27695 1/20 0.32

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
Acetic Acid SCHEMBL10800058 0.91 FFAR3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
Acetic Acid SCHEMBL10800052 0.91 FFAR3 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28668393 0.84 CA1 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17873523 0.80 CA1 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL27449071 0.79 FFAR3 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2526702 0.79 APP (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2516912 0.79 APP (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL3563113 0.78 FFAR3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL28245794 0.75 CA1 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL27864686 0.74 CA1 (0.47) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662854-B2 HIF hydroxylase inhibitors ISIS INNOVATION LIMITED (GB) 2010-02-16 US disclosed
US-7638295-B2 Identifying agent which modulates 2-oxoglutarate dependent oxygenase; ankyrin substrate; hypoxia-inducible factor; thalassemia ISIS INNOVATION LIMITED (GB) 2009-12-29 US disclosed
EP-2065366-A2 HIF hydroxylase inhibitors ISIS Innovation Limited (GB) 2009-06-03 EP disclosed
EP-1485347-B1 HIF HYDROXYLASE INHIBITORS FOR USE IN THE TREATMENT OF ANAEMIA ISIS INNOVATION (GB) 2009-04-29 EP disclosed
US-20080227848-A1 Assays ISIS INNOVATION LIMITED (GB) 2008-09-18 US disclosed
EP-1466927-B1 PROCESS FOR PRODUCTION OF CARBOXYLIC ACID POLYMERS KAO CORP (JP) 2007-03-28 EP disclosed
US-20070066576-A1 HIF hydroxylase inhibitors ISIS INNOVATION LIMITED (GB) 2007-03-22 US disclosed
EP-1733030-A2 ASSAYS FOR IDENTIFYING MODULATORS OF THE HYDROXYLATION OF ANKYRIN REPEAT PROTEINS BY 2-OXOGLUTARATE DEPENDENT OXYGENASE AND METHODS OF USING THE SAME ISIS INNOVATION LIMITED (GB) 2006-12-20 EP disclosed
US-20050227948-A1 Hif hydroxylase inhibitors ISIS INNOVATION LIMITED (GB) 2005-10-13 US disclosed
WO-2005093411-A2 ASSAYS FOR IDENTIFYING MODULATORS OF THE HYDROXYLATION OF ANKYRIN REPEAT PROTEINS BY 2-OXOGLUTARATE DEPENDENT OXIGENASE AND METHODS OF USING THE SAME ISIS INNOVATION LIMITED (GB) 2005-10-06 WO disclosed
EP-1485347-A2 HIF HYDROXYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2004-12-15 EP disclosed
EP-1466927-A1 PROCESS FOR PRODUCTION OF CARBOXYLIC ACID POLYMERS Kao Corporation (JP) 2004-10-13 EP disclosed
WO-2003080566-A2 HIF HYDROXYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2003-10-02 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 (3 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-20050227948-A1 Hif hydroxylase inhibitors HIF1AN, HIF1A, EGLN3 CA1 1222/4885PTGS1 84/4885PDE4A 1069/4885
US-20070066576-A1 HIF hydroxylase inhibitors HIF1AN, HIF1A, EGLN3 CA1 1222/4885PTGS1 84/4885PDE4A 1069/4885
US-20080227848-A1 Assays OGDH, HOGA1, OXGR1 CA1 3246/4885PTGS1 1167/4885PDE4A 4615/4885

“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.