SCHEMBL10172853

SCHEMBL10172853

O=C(OCCCCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.73
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
STS P08842 1/20 0.44
POLB P06746 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL10172828 0.95 TDP1 (0.70) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2608651 0.88 TDP1 (0.63) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL223441 0.86 TDP1 (1.00) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL10172868 0.85 ESR1 (0.61) TDP1LMNAMAPK1SLC6A2KMT2A
SCHEMBL28588190 0.84 ESR1 (0.59) TDP1LMNAMAPK1SLC6A2KMT2A
SCHEMBL17466182 0.84 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2069111 0.84 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL11896606 0.84 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL225815 0.84 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL223238 0.84 TDP1 (0.96) TDP1LMNAMAPK1HIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
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-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-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 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 (2 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
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 TDP1 3626/4885LMNA 3748/4885MAPK1 644/4885

“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.