SCHEMBL3520221

SCHEMBL3520221

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
MMP12 P39900 2/20 0.32
MMP13 P45452 2/20 0.32
KEAP1 Q14145 1/20 0.32
HTR6 P50406 2/20 0.31
BCAT1 P54687 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL3519676 0.99 HTT (0.37) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3520658 0.92 BCAT1 (0.36) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3518432 0.89 NPC1 (0.41) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3521318 0.88 HTT (0.41) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3521377 0.88 NPC1 (0.42) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3519030 0.82 LMNA (0.39) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3524445 0.82 CA1 (0.30) CA1CA2
SCHEMBL3520499 0.81 HTT (0.34) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3519821 0.81 MAOA (0.40) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL3520594 0.80 LMNA (0.41) HTTSMN1; SMN2ALDH1A1CYP1A2HPGD

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 HTT 4356/4885SMN1; SMN2 4320/4885ALDH1A1 1190/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA HTT 50/4885SMN1; SMN2 3528/4885ALDH1A1 2676/4885

“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.