SCHEMBL3211301

SCHEMBL3211301

COCc1ccc([S+](c2ccc(COC)cc2)c2ccc(COC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGXT P21549 4/20 0.37
IDO1 P14902 4/20 0.37
ACACB O00763 1/20 0.37
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ERN1 O75460 1/20 0.33
APP P05067 4/20 0.32
CA2 P00918 1/20 0.32
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL3197211 0.91 ALDH1A1 (0.39) AGXTIDO1APPMAOBALDH1A1
SCHEMBL3201094 0.91 ALDH1A1 (0.39) AGXTIDO1APPMAOBALDH1A1
SCHEMBL134443 0.84 IDO1 (0.46) AGXTIDO1ACACBPTGS2LMNA
SCHEMBL23396563 0.79 PTGS2 (0.37) AGXTIDO1ACACBPTGS2LMNA
SCHEMBL23095539 0.79 PTGS2 (0.37) AGXTIDO1ACACBPTGS2LMNA
SCHEMBL13236875 0.79 PTGS2 (0.37) AGXTIDO1ACACBPTGS2LMNA
SCHEMBL9679767 0.76 TSHR (0.52) AGXTIDO1ACACBPTGS2LMNA
SCHEMBL8020885 0.76 ESR1 (0.48) AGXTIDO1ACACBPTGS2LMNA
SCHEMBL11310162 0.76 ESR1 (0.48) AGXTIDO1ACACBPTGS2LMNA
SCHEMBL198803 0.76 ERN1 (0.47) AGXTIDO1PTGS2ERN1MAOB

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
US-20180011401-A1 SULFONIC ACID DERIVATIVE, PHOTOACID GENERATOR USING SAME, RESIST COMPOSITION, AND DEVICE MANUFACTURING METHOD TOYO GOSEI CO., LTD. (JP) 2018-01-11 US disclosed
US-9714217-B2 Sulfonic acid derivative and photoacid generator TOYO GOSEI CO., LTD. (JP) 2017-07-25 US disclosed
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method CENTRAL GLASS COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-8435717-B2 Compound for photoacid generator, resist composition using the same, and pattern-forming method CENTRAL GLASS COMPANY, LIMITED (JP) 2013-05-07 US disclosed
US-20120289738-A1 SULFONIC ACID DERIVATIVE AND PHOTOACID GENERATOR TOYO GOSEI CO., LTD. (JP) 2012-11-15 US disclosed
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method CENTRAL GLASS COMPANY, LTD. (JP) 2010-02-11 US disclosed
US-7414148-B2 Process for producing alkoxycarbonylfluoroalkanesulfonates CENTRAL GLASS COMPANY LIMITED (JP) 2008-08-19 US disclosed
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-08 US 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 (5 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-20180011401-A1 SULFONIC ACID DERIVATIVE, PHOTOACID GENERATOR USING SAME, RESIST COMPOSITION, AND DEVICE MANUFACTURING METHOD ASIC1, ASIC3, CRY1 AGXT 2279/4885IDO1 4075/4885ACACB 2899/4885
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES ARSA, PFAS, MPST AGXT 1034/4885IDO1 2344/4885ACACB 2003/4885
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR AGXT 3312/4885IDO1 1657/4885ACACB 4125/4885
US-20120289738-A1 SULFONIC ACID DERIVATIVE AND PHOTOACID GENERATOR CRY1, ASIC1, ASIC3 AGXT 1051/4885IDO1 3849/4885ACACB 2213/4885
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR AGXT 3603/4885IDO1 1365/4885ACACB 4289/4885

“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.