SCHEMBL3563113

SCHEMBL3563113

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
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
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
HBB P68871 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Zinc Ion SCHEMBL8372146 0.94 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
Lithium Ion SCHEMBL2524489 0.84 CA1 (0.42) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5022357 0.84 CA1 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL16719246 0.80 CA1 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL3645966 0.80 CA1 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL27989388 0.78 APEX1 (0.57) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL3563111 0.78 FFAR3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL9421241 0.77 HDAC3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11335835 0.76 ALDH1A1 (0.44) KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL29398624 0.76 ALDH1A1 (0.45) KDM4EMAPTALOX15CA1ALDH1A1

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 1222/4885CA4 311/4885FFAR3 2487/4885
US-20070066576-A1 HIF hydroxylase inhibitors HIF1AN, HIF1A, EGLN3 CA1 1222/4885CA4 311/4885FFAR3 2487/4885
US-20080227848-A1 Assays OGDH, HOGA1, OXGR1 CA1 3246/4885CA4 4106/4885FFAR3 4611/4885

“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.