SCHEMBL501595

SCHEMBL501595

CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.33

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 2)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.33
ELANE P08246 2/20 0.33

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
Tetrabuthylammonium SCHEMBL3417172 0.83 MEN1 (0.33)
SCHEMBL501906 0.81 KMT2A (0.36) PRKCAELANE
SCHEMBL2217884 0.81 PRKCA (0.35) PRKCAELANE
SCHEMBL501596 0.79 PRKCA (0.34) PRKCAELANE
SCHEMBL19857283 0.79 PRKCA (0.34) PRKCAELANE
SCHEMBL19042383 0.79 PRKCA (0.34) PRKCAELANE
SCHEMBL1001524 0.78 KDM4E (0.41) PRKCAELANE
SCHEMBL543948 0.75 TSHR (0.39)
SCHEMBL544566 0.74 PRKCA (0.33) PRKCA
SCHEMBL3836797 0.74 PTPN1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2105794-B1 Novel photoacid generator, resist composition, and patterning process SHINETSU CHEMICAL CO (JP) 2015-08-19 EP disclosed
EP-2256551-B1 Pattern forming process using a chemically amplified resist composition SHINETSU CHEMICAL CO (JP) 2015-05-13 EP disclosed
EP-2081084-B1 Positive resist compositions and patterning process SHINETSU CHEMICAL CO (JP) 2014-12-24 EP disclosed
US-8748672-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-06-10 US disclosed
US-8609889-B2 Photoacid generator, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-12-17 US disclosed
US-20130317250-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-28 US disclosed
US-8581009-B2 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt and method for producing the same CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-12 US disclosed
US-8349533-B2 Resist lower-layer composition containing thermal acid generator, resist lower layer film-formed substrate, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-01-08 US disclosed
US-8288076-B2 Chemically amplified resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-8222448-B2 Processes for production of 2-bromo-2,2-difluoroethanol and 2-(alkylcarbonyloxy)-1, 1-difluoroethanesulfonic acid salt CENTRAL GLASS COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20090246694-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-10-01 US disclosed
EP-2105794-A1 Novel photoacid generator, resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-09-30 EP disclosed
EP-2090931-A1 Positive resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-08-19 EP disclosed
US-20090202943-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-13 US disclosed
US-20090186297-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-07-23 US disclosed
US-20090186298-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-07-23 US disclosed
US-20090186296-A1 POSITIVE RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-07-23 US disclosed
EP-2081083-A1 Positive resist compositions and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-07-22 EP disclosed
EP-2081084-A1 Positive resist compositions and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-07-22 EP disclosed
EP-2081085-A1 Positive resist compositions and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-07-22 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 (2 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-20090246694-A1 NOVEL PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS ASIC1, HAO2, HRH3 PRKCA 2200/4885ELANE 3300/4885
US-20130317250-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same PFAS, DDAH1, STS PRKCA 1921/4885ELANE 1199/4885

“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.