SCHEMBL3456472

SCHEMBL3456472

O=C(OCCS(=O)(=O)[O-])c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL27785317 0.79 TDP1 (0.66) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2437125 0.78 CA12 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL3454233 0.77 ALDH1A1 (0.41) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1656674 0.77 TDP1 (0.44) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2608651 0.77 TDP1 (0.63) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL27510780 0.76 TDP1 (0.61) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL27256658 0.76 TDP1 (0.61) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL6390757 0.75 TSHR (0.55) TDP1LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3454497 0.75 ALDH1A1 (0.45) LMNAMAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3454428 0.75 CA2 (0.36) TDP1LMNAKMT2AALDH1A1SMN1; 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-8394570-B2 Sulfonium salt, acid generator, resist composition, photomask blank, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-12 US disclosed
US-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-10 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-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS TYK2, VRK2, ARSA TDP1 4248/4885LMNA 3254/4885MAPK1 156/4885

“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.