SCHEMBL693818

SCHEMBL693818

CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].O=S(=O)([O-])c1cccc2ccccc12.[Na+].[Na+]

nearest known ligand 0.44

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 1/20 0.40
CA2 known ✓ P00918 1/20 0.40
SCN1A known ✓ P35498 1/20 0.39
SCN2A known ✓ Q99250 1/20 0.39
SCN3A known ✓ Q9NY46 1/20 0.39
LIPG Q9Y5X9 1/20 0.43
CA9 Q16790 1/20 0.40
HTR6 P50406 1/20 0.39
MAPT P10636 1/20 0.39
NQO2 P16083 1/20 0.39
KCNH2 Q12809 6/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38

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
Octane SCHEMBL11401295 0.90 CA1 (0.47) CA1CA2CA9HTR6KDM4E
SCHEMBL45790 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL6743013 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL378838 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL99281 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL18139200 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL3073661 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL339920 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL18139086 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL4144831 0.89 LIPG (0.53) LIPGKCNH2BIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421510-B1 PRODUCTION OF ENCAPSULATED NANOPARTICLES AT COMMERCIAL SCALE ICEUTICA PTY LTD (AU) 2019-07-31 EP claimed
US-20230356232-A1 PRODUCTION OF ENCAPSULATED NANOPARTICLES AT COMMERCIAL SCALE ICEUTICA PTY LTD. (AU) 2023-11-09 US disclosed
EP-2421530-B1 FORMULATION OF METAXALONE ICEUTICA PTY LTD (AU) 2019-08-21 EP disclosed
EP-2421510-B1 PRODUCTION OF ENCAPSULATED NANOPARTICLES AT COMMERCIAL SCALE ICEUTICA PTY LTD (AU) 2019-07-31 EP disclosed
US-10172828-B2 Formulation of indomethacin ICEUTICA PTY LTD. (AU) 2019-01-08 US disclosed
EP-3024440-B1 FORMULATION OF METAXALONE ICEUTICA INC (US) 2018-11-28 EP disclosed
EP-3338766-A1 PRODUCTION OF ENCAPSULATED NANOPARTICLES AT HIGH VOLUME FRACTIONS Iceutica Pty Ltd. (AU) 2018-06-27 EP disclosed
US-20180117008-A1 Novel Formulation of Indomethacin ICEUTICA PTY LTD. (AU) 2018-05-03 US disclosed
EP-3290030-A1 DICLOFENAC FORMULATION Iceutica Pty Ltd. (AU) 2018-03-07 EP disclosed
EP-2421509-B1 PRODUCTION OF ENCAPSULATED NANOPARTICLES AT HIGH VOLUME FRACTIONS ICEUTICA PTY LTD (AU) 2017-11-22 EP disclosed
EP-3151835-A1 A NOVEL FORMULATION OF MELOXICAM Iceutica Pty Ltd. (AU) 2017-04-12 EP disclosed
US-20170049788-A1 Abiraterone Steroid Formulation SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-02-23 US disclosed
WO-2015191595-A1 A NOVEL FORMULATION OF MELOXICAM ICEUTICA PTY LTD. (AU) 2015-12-17 WO disclosed
US-20150313857-A1 Novel Formulation of Naproxen ICEUTICA INC. 2015-11-05 US disclosed
US-20150150805-A1 NOVEL FORMULATION OF DICLOFENAC ICEUTICA PTY LTD. 2015-06-04 US disclosed
US-20150087709-A1 Novel Formulation of Naproxen ICEUTICA PTY LTD. 2015-03-26 US disclosed
EP-2421540-A1 A NOVEL FORMULATION OF MELOXICAM Iceutica Pty Ltd. (AU) 2012-02-29 EP disclosed
WO-2010121325-A1 A NOVEL FORMULATION OF MELOXICAM ICEUTICA PTY LTD (AU) 2010-10-28 WO disclosed