SCHEMBL3454429

SCHEMBL3454429

O=S(=O)(CCO)OS(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PSIP1 O75475 1/20 0.38
HSD11B1 P28845 2/20 0.37
CYP2C19 P33261 2/20 0.37
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
KEAP1 Q14145 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3456119 0.89 CA2 (0.40) SMN1; SMN2TSHRHTR6ALDH1A1PSIP1
SCHEMBL4465657 0.88 HTR6 (0.44) SMN1; SMN2TSHRHTR6ALDH1A1PSIP1
SCHEMBL218711 0.84 HTR6 (0.41) SMN1; SMN2TSHRHTR6ALDH1A1PSIP1
SCHEMBL6652822 0.81 TDP1 (0.49) SMN1; SMN2TSHRHTR6ALDH1A1PSIP1
SCHEMBL218621 0.79 HTR6 (0.44) SMN1; SMN2TSHRHTR6ALDH1A1PSIP1
SCHEMBL562842 0.78 TDP1 (0.50) SMN1; SMN2TSHRHTR6ALDH1A1PSIP1
SCHEMBL4485970 0.78 PSIP1 (0.52) SMN1; SMN2TSHRHTR6ALDH1A1PSIP1
SCHEMBL453414 0.75 TDP1 (0.47) TSHRALDH1A1PSIP1MMP1MMP9
SCHEMBL1664176 0.75 TDP1 (0.47) TSHRALDH1A1PSIP1MMP1MMP9
SCHEMBL3456473 0.75 TDP1 (0.53) SMN1; SMN2TSHRALDH1A1HSD11B1LMNA

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 SMN1; SMN2 1738/4885TSHR 1712/4885HTR6 3140/4885

“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.