SCHEMBL544306

SCHEMBL544306

O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
GAA P10253 3/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP17A1 P05093 2/20 0.39
CYP19A1 P11511 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
GABBR2 O75899 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL31676706 0.94 ALDH1A1 (0.39) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL1398384 0.92 ALDH1A1 (0.38) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL1398375 0.92 ALDH1A1 (0.37) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL31206130 0.87 ALDH1A1 (0.40) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL3454419 0.85 GAA (0.43) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL1398390 0.84 ALDH1A1 (0.42) ALDH1A1GAARECQLKMT2ACYP17A1
SCHEMBL501662 0.83 L3MBTL1 (0.34) ALDH1A1GAARECQLKMT2APOLB
SCHEMBL2887913 0.83 ALDH1A1 (0.40) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL4358881 0.81 ALDH1A1 (0.44) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL515758 0.81 ALDH1A1 (0.39) ALDH1A1GAARECQLKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142585-A1 BRANCHED POLYCARBONATE RESINS AND PROCESSES TO PREPARE THE SAME Sabic Innovative Plastics IP B.V. (NL) 2010-01-13 EP claimed
WO-2008051652-A1 BRANCHED POLYCARBONATE RESINS AND PROCESSES TO PREPARE THE SAME SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-05-02 WO claimed
US-8993212-B2 Fluorine-containing sulfonic acid salts, photo-acid generator and resist composition and pattern formation method utilizing same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-03-31 US 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-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-20130209938-A1 Fluorine-Containing Sulfonic Acid Salts, Photo-Acid Generator And Resist Composition And Pattern Formation Method Utilizing Same CENTRAL GLASS COMPANY, LTD. (JP) 2013-08-15 US disclosed
US-8431324-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2013-04-30 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-8318404-B2 Salt and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 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-2081085-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
WO-2008136842-A1 POLY( CARBONATE-CO-UREA) COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-11-13 WO disclosed
WO-2008136841-A1 POLY(CARBONATE-CO-UREA) COPOLYMERS AND MELT TRANSESTERIFICATION METHOD OF PREPARING THESE COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-11-13 WO disclosed
US-20080275206-A1 POLY(CARBONATE-CO-UREA) COPOLYMERS AND MELT TRANSESTERIFICATION METHOD OF PREPARING THESE COPOLYMERS GENERAL ELECTRIC COMPANY (US) 2008-11-06 US disclosed
US-20080275209-A1 POLY(CARBONATE-CO-UREA) COPOLYMERS AND MELT TRANSESTERIFICATION METHOD OF PREPARING THESE COPOLYMERS GENERAL ELECTRIC COMPANY (US) 2008-11-06 US disclosed
WO-2008051652-A1 BRANCHED POLYCARBONATE RESINS AND PROCESSES TO PREPARE THE SAME SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-05-02 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 (1 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-20130317250-A1 2-(Alkylcarbonyloxy)-1, 1-Difluoroethanesulfonic Acid Salt and Method for Producing the Same PFAS, DDAH1, STS ALDH1A1 421/4885GAA 1658/4885RECQL 4395/4885

“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.