SCHEMBL3200967

SCHEMBL3200967

c1ccc([S+](c2ccccc2)c2cccc3cc4ccccc4cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 5/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HTR2A P28223 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 4/20 0.35
HPGD P15428 4/20 0.35
GLA P06280 2/20 0.35
CYP2C19 P33261 1/20 0.35
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 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
SCHEMBL31005147 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL98432 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL29973074 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
Bromide SCHEMBL3137561 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL30951258 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL98512 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL3687125 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHSD17B10HIF1A
Perchlorate SCHEMBL3140950 0.74 ALDH1A1 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1KMT2A
SCHEMBL3137484 0.74 NR4A1 (0.38) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL31229937 0.74 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HIF1ACYP1B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES ARSA, PFAS, MPST ALDH1A1 713/4885KDM4E 3567/4885GAA 919/4885
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR ALDH1A1 1210/4885KDM4E 4219/4885GAA 2581/4885
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR ALDH1A1 1564/4885KDM4E 4230/4885GAA 2532/4885

“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.