SCHEMBL3190141

SCHEMBL3190141

OCc1ccc([S+](c2ccccc2)c2ccc(CO)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
LTA4H P09960 1/20 0.50
VHL P40337 1/20 0.40
ELOC Q15369 1/20 0.40
ELOB Q15370 1/20 0.40
KIF11 P52732 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
TTR P02766 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 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
SCHEMBL686320 1.00 TSHR (0.59) TSHRLTA4HVHLELOCELOB
Hydrochloric Acid SCHEMBL31448262 0.98 TSHR (0.56) TSHRLTA4HVHLELOCELOB
SCHEMBL3188718 0.90 TSHR (0.48) TSHRLTA4HVHLELOCELOB
SCHEMBL13102527 0.82 TDP1 (0.62) TSHRLTA4HTDP1PPARACA12
SCHEMBL13337729 0.81 CA2 (0.46) TSHRLTA4HNOS3NOS1TDP1
SCHEMBL9608259 0.80 CALM1 (0.55) TSHRLTA4HTDP1CA12CA1
SCHEMBL11941640 0.79 IDO1 (0.41) TSHRNOS3NOS1TTRPRSS1
SCHEMBL12575698 0.79 IDO1 (0.41) TSHRLTA4HVHLELOCELOB
Benzyl Alcohol SCHEMBL31038373 0.79
SCHEMBL12762137 0.79 ALDH1A1 (0.38) TSHRLTA4HTDP1CA12CA1

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 TSHR 2626/4885LTA4H 2800/4885VHL 2864/4885
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES ARSA, PFAS, MPST TSHR 3426/4885LTA4H 1470/4885VHL 3099/4885
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR TSHR 1202/4885LTA4H 4272/4885VHL 3258/4885
US-20120289738-A1 SULFONIC ACID DERIVATIVE AND PHOTOACID GENERATOR CRY1, ASIC1, ASIC3 TSHR 1768/4885LTA4H 3327/4885VHL 397/4885
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR TSHR 988/4885LTA4H 4311/4885VHL 2882/4885

“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.