SCHEMBL3139546

SCHEMBL3139546

COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Trifluoromethanesulfonic Acid SCHEMBL3140872 0.83 ACHE (0.39) KMT2ASMN1; SMN2
SCHEMBL3140907 0.83 HTT (0.41) CYP2C9KMT2ACA12CA1CA2
SCHEMBL3197569 0.82 CA12 (0.31) KMT2ACA12CA1CA2CA7
SCHEMBL384538 0.82 CA1 (0.38) CA12CA1CA2CA7CA13
SCHEMBL3139828 0.81 TP53 (0.39) KMT2ACA12CA1CA2CA7
SCHEMBL3132293 0.81 TP53 (0.39) KMT2ACA12CA1CA2CA7
SCHEMBL3136018 0.81 TSHR (0.40) KMT2ASMN1; SMN2
SCHEMBL47546 0.80 KDM4E (0.38) KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL3144314 0.80 GAA (0.40) KMT2A
SCHEMBL3135484 0.79 CA12 (0.36) CYP2C9CA12CA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
US-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2007-04-12 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-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid ARSA, HAO2, HAO1 CYP2C9 219/4885KMT2A 833/4885HSD17B1 738/4885

“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.