SCHEMBL5034547

SCHEMBL5034547

O=C(OS(c1ccccc1)(c1ccccc1)c1ccc2oc3ccccc3c(=S)c2c1)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
KEAP1 Q14145 1/20 0.34
LMNA P02545 3/20 0.34
BCAT1 P54687 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
TTR P02766 2/20 0.32
MMP8 P22894 2/20 0.32
MMP3 P08254 1/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL3520499 0.96 HTT (0.34) HTTSMN1; SMN2ALDH1A1CYP1A2GAA
SCHEMBL5034573 0.88 TTR (0.45) HTTSMN1; SMN2ALDH1A1CYP1A2GAA
SCHEMBL3523716 0.84 TTR (0.44) HTTSMN1; SMN2ALDH1A1CYP1A2GAA
SCHEMBL3521295 0.84 TTR (0.44) HTTSMN1; SMN2ALDH1A1CYP1A2GAA
SCHEMBL3518352 0.83 MMP12 (0.41) SMN1; SMN2MMP12MMP13KEAP1LMNA
SCHEMBL3519676 0.79 HTT (0.37) HTTSMN1; SMN2ALDH1A1CYP1A2GAA
SCHEMBL3520221 0.78 HTT (0.37) HTTSMN1; SMN2ALDH1A1CYP1A2GAA
SCHEMBL3521318 0.78 HTT (0.41) HTTSMN1; SMN2ALDH1A1CYP1A2GAA
SCHEMBL545781 0.78 HSD11B1 (0.38) HTTSMN1; SMN2CYP1A2GAACYP2C19
SCHEMBL5034546 0.75 MAOB (0.44) HTTALDH1A1GAAHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 EP disclosed
EP-1953149-A2 A heterocycle-containing onium salt Wako Pure Chemical Industries, Ltd. (JP) 2008-08-06 EP disclosed
US-7318991-B2 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-15 US disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 US disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP 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-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether NOX4, CBR1, CBR3 HTT 4356/4885SMN1; SMN2 4320/4885ALDH1A1 1190/4885

“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.