SCHEMBL482457

SCHEMBL482457

O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.[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
ESR2 known ✓ Q92731 1/20 0.36
CA2 known ✓ P00918 1/20 0.34
CA4 known ✓ P22748 1/20 0.34
GABRA1 known ✓ P14867 1/20 0.34
GABRG2 known ✓ P18507 1/20 0.34
GABRB3 known ✓ P28472 1/20 0.34
GABRA5 known ✓ P31644 1/20 0.34
GABRA3 known ✓ P34903 1/20 0.34
GABRA2 known ✓ P47869 1/20 0.34
GABRA4 known ✓ P48169 1/20 0.34
GABRA6 known ✓ Q16445 1/20 0.34
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.38
F2 P00734 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MGLL Q99685 1/20 0.36
CES1 P23141 1/20 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
SCHEMBL1671825 0.92 PDCD1 (0.49) TSHRTP53KMT2APDCD1CD274
SCHEMBL246106 0.91 TSHR (0.39) TSHRTP53KMT2ALMNAF2
SCHEMBL382685 0.86 TSHR (0.47) TSHRTP53KMT2ALMNAF2
SCHEMBL1671877 0.85 ESR1 (0.39) TSHRTP53KMT2ALMNAMGLL
SCHEMBL482458 0.85 TSHR (0.46) TSHRTP53KMT2ALMNAF2
Hydrogen Sulfide SCHEMBL2882266 0.85 TSHR (0.46) TSHRTP53KMT2ALMNAF2
SCHEMBL1671648 0.84 CES2 (0.40) LMNACES1NPC1RAB9ASMN1; SMN2
SCHEMBL1671636 0.84 PDCD1 (0.44) TSHRTP53KMT2APDCD1CD274
SCHEMBL19042453 0.84 TSHR (0.45) TSHRTP53KMT2ALMNAF2
SCHEMBL1671971 0.83 MEN1 (0.39) KMT2ALMNAALDH1A1TDP1MAPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033966-B1 Novel photoacid generators, resist compositons, and patterning processes SHINETSU CHEMICAL CO (JP) 2015-07-29 EP disclosed
EP-2256551-B1 Pattern forming process using a chemically amplified resist composition SHINETSU CHEMICAL CO (JP) 2015-05-13 EP disclosed
US-8609889-B2 Photoacid generator, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-12-17 US disclosed
US-8597869-B2 Sulfonium salt, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-12-03 US disclosed
EP-1710230-B1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHINETSU CHEMICAL CO (JP) 2013-08-14 EP disclosed
CN-101982808-B Chemically amplified resist composition and pattern forming process SHINETSU CHEMICAL CO 2013-06-26 CN disclosed
US-8288076-B2 Chemically amplified resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-16 US disclosed
EP-2112554-B1 Sulfonium salt-containing polymer, resist composition, and patterning process SHINETSU CHEMICAL CO (JP) 2012-06-06 EP disclosed
US-20120100486-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-26 US disclosed
EP-1780199-B1 Novel fluorohydroxyalkyl sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHINETSU CHEMICAL CO (JP) 2012-02-01 EP disclosed
US-20090061358-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS PROXIMAL SYSTEMS CORPORATION 2009-03-05 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-20080102407-A1 Sulfonium salt having polymerizable anion, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-05-01 US disclosed
US-20080085469-A1 Novel photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-04-10 US disclosed
US-20080032231-A1 Resist lower layer material, resist lower layer substrate comprising the material and method for forming pattern SHIN-ETSU CHEMICAL CO., LTD. 2008-02-07 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-20070099113-A1 Novel sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1780199-A1 Novel fluorohydroxyalkyl sulfonate salts and derivatives, photoacid generators, resist compositions, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2007-05-02 EP 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

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-20120100486-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS STS, SLC6A5, SLC6A9 ESR2 3548/4885CA2 625/4885CA4 681/4885
US-20090061358-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS RER1, CRY1, CYP21A2 ESR2 453/4885CA2 684/4885CA4 283/4885
US-20080085469-A1 Novel photoacid generators, resist compositions, and patterning process RER1, SCO2, ASIC3 ESR2 1224/4885CA2 628/4885CA4 690/4885

“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.