SCHEMBL3201094

SCHEMBL3201094

COCc1ccc([S+](c2ccccc2)c2ccc(COC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 3/20 0.37
AGXT P21549 3/20 0.36
LTA4H P09960 1/20 0.36
MAOB P27338 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
APP P05067 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXRA P19793 1/20 0.34
PDK2 Q15119 1/20 0.34
FFAR1 O14842 1/20 0.34

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 1.00 ALDH1A1 (0.39) ALDH1A1TSHRIDO1AGXTLTA4H
SCHEMBL3211301 0.91 AGXT (0.37) ALDH1A1IDO1AGXTMAOBAPP
SCHEMBL13088294 0.80 KDM4E (0.37) ALDH1A1TSHRIDO1LTA4HTDP1
SCHEMBL794 0.79
SCHEMBL2740923 0.79 ALDH1A1 (0.39) ALDH1A1TSHRIDO1AGXTMAOB
SCHEMBL27308458 0.77 TSHR (0.57) ALDH1A1TSHRIDO1AGXTLTA4H
Hydrochloric Acid SCHEMBL9981027 0.77 TSHR (0.57) ALDH1A1TSHRIDO1AGXTLTA4H
Fluoride SCHEMBL28056345 0.77 TSHR (0.57) ALDH1A1TSHRIDO1AGXTLTA4H
SCHEMBL28732564 0.77 TSHR (0.57) ALDH1A1TSHRIDO1AGXTLTA4H
Ammonia Solution, Strong SCHEMBL7706243 0.77 TSHR (0.57) ALDH1A1TSHRIDO1AGXTLTA4H

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 ALDH1A1 565/4885TSHR 2626/4885IDO1 4075/4885
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES ARSA, PFAS, MPST ALDH1A1 713/4885TSHR 3426/4885IDO1 2344/4885
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR ALDH1A1 1210/4885TSHR 1202/4885IDO1 1657/4885
US-20120289738-A1 SULFONIC ACID DERIVATIVE AND PHOTOACID GENERATOR CRY1, ASIC1, ASIC3 ALDH1A1 461/4885TSHR 1768/4885IDO1 3849/4885
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR ALDH1A1 1564/4885TSHR 988/4885IDO1 1365/4885

“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.