SCHEMBL1671971

SCHEMBL1671971

CC(C)(C)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.40

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 0.36
CA2 known ✓ P00918 3/20 0.36
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TRPV1 Q8NER1 3/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 1/20 0.36
KLF5 Q13887 1/20 0.36
NOD1 Q9Y239 1/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36

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
SCHEMBL383521 0.88 TRPV1 (0.41) MEN1KMT2ATRPV1MAPTTDP1
SCHEMBL1671972 0.86 TRPV1 (0.40) MEN1KMT2ATRPV1MAPTTDP1
SCHEMBL547364 0.85 MAPT (0.41) KMT2AMAPTTDP1L3MBTL1NPSR1
SCHEMBL482457 0.83 TSHR (0.44) MEN1KMT2AMAPTTDP1CA2
SCHEMBL1671825 0.82 PDCD1 (0.49) KMT2AMAPTCA1CA2
SCHEMBL546783 0.80 ENPP1 (0.41) MAPTTDP1L3MBTL1ALDH1A1TNF
SCHEMBL1671648 0.77 CES2 (0.40) CA1CA2LMNA
SCHEMBL962176 0.77 MAPT (0.42) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL17195514 0.76 CA1 (0.37) MEN1KMT2AMAPTCA1CA2
SCHEMBL18785970 0.76 CES2 (0.44) MEN1KMT2ATRPV1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710230-B1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHINETSU CHEMICAL CO (JP) 2013-08-14 EP disclosed
US-7919226-B2 Sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-05 US disclosed
US-7514202-B2 Thermal acid generator, resist undercoat material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-04-07 US disclosed
US-7511169-B2 Sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-20080318160-A1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process RITTAL GMBH & CO. KG (DE) 2008-12-25 US disclosed
US-20070264596-A1 Thermal acid generator, resist undercoat material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-11-15 US disclosed
US-20060228648-A1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2006-10-12 US disclosed
EP-1710230-A1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2006-10-11 EP disclosed