SCHEMBL12376680

SCHEMBL12376680

C=CC(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.75
PKM P14618 1/20 0.44
TSHR P16473 6/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 6/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PARP10 Q53GL7 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL28230342 0.86 THRB (1.00) THRBPKMTSHRRAB9ASMN1; SMN2
SCHEMBL34035 0.86 THRB (1.00) THRBPKMTSHRRAB9ASMN1; SMN2
Bromide SCHEMBL31049797 0.85 THRB (0.97) THRBPKMTSHRRAB9ASMN1; SMN2
SCHEMBL27842581 0.85 THRB (0.97) THRBPKMTSHRRAB9ASMN1; SMN2
SCHEMBL9489063 0.84 THRB (0.83) THRBPKMTSHRRAB9ASMN1; SMN2
SCHEMBL15941197 0.84 THRB (0.88) THRBPKMTSHRRAB9ASMN1; SMN2
SCHEMBL5571468 0.84 THRB (0.82) THRBPKMTSHRRAB9ASMN1; SMN2
Acrylic Acid SCHEMBL7185229 0.83 THRB (0.93) THRBPKMTSHRRAB9ASMN1; SMN2
SCHEMBL28315275 0.83 THRB (0.93) THRBPKMTSHRRAB9ASMN1; SMN2
Acrylic Acid SCHEMBL28252916 0.83 THRB (0.93) THRBPKMTSHRRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691490-B2 Sulfonium salt, polymer, method for producing the polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-08 US disclosed
US-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-08-04 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 (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-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS RPS4Y1, ETV6, RPS4X THRB 3747/4885PKM 3578/4885TSHR 3175/4885

“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.