SCHEMBL3519675

SCHEMBL3519675

O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.S=c1c2ccccc2oc2ccc([S+](c3ccccc3)c3ccccc3)cc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 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
SCHEMBL3520219 0.99 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1CYP1A2GAAHPGD
SCHEMBL3520657 0.93 BCAT1 (0.34) SMN1; SMN2ALDH1A1CYP1A2GAAHPGD
Trifluoromethanesulfonic Acid SCHEMBL3521317 0.89 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1CYP1A2GAAHPGD
SCHEMBL3521374 0.88 TTR (0.40) SMN1; SMN2ALDH1A1HPGD
SCHEMBL3518429 0.88 TTR (0.39) SMN1; SMN2ALDH1A1HPGD
SCHEMBL3524443 0.83
SCHEMBL3520497 0.82 TTR (0.32)
SCHEMBL3520592 0.82 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL3518315 0.82 TTR (0.33)
Trifluoromethanesulfonic Acid SCHEMBL3519028 0.82 BCAT1 (0.38) SMN1; SMN2ALDH1A1CYP1A2GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
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-20080161520-A1 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-03 US 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 (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-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 SMN1; SMN2 4320/4885ALDH1A1 1190/4885CYP1A2 276/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA SMN1; SMN2 3528/4885ALDH1A1 2676/4885CYP1A2 3239/4885

“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.