SCHEMBL3519052

SCHEMBL3519052

[O-][Cl+3]([O-])([O-])OS(c1ccccc1)(c1ccccc1)c1ccc2oc3ccccc3c(=S)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
KEAP1 Q14145 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL3523575 0.84 NPC1 (0.50) LMNAL3MBTL1MMP12MMP13SMN1; SMN2
SCHEMBL3520594 0.81 LMNA (0.41) LMNAL3MBTL1MMP12MMP13SMN1; SMN2
SCHEMBL3518352 0.79 MMP12 (0.41) LMNAL3MBTL1MMP12MMP13SMN1; SMN2
SCHEMBL3521318 0.78 HTT (0.41) LMNAL3MBTL1MMP12MMP13SMN1; SMN2
SCHEMBL3523837 0.76 LMNA (0.40) LMNAL3MBTL1MMP12MMP13SMN1; SMN2
SCHEMBL3520236 0.73 BCAT1 (0.42) LMNAL3MBTL1MMP12MMP13SMN1; SMN2
SCHEMBL5034547 0.73 HTT (0.35) LMNAL3MBTL1MMP12MMP13SMN1; SMN2
SCHEMBL3519676 0.73 HTT (0.37) LMNAL3MBTL1MMP12MMP13SMN1; SMN2
SCHEMBL108184 0.72 HTR6 (0.36) MMP13SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3520221 0.72 HTT (0.37) LMNAL3MBTL1MMP12MMP13SMN1; SMN2

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 LMNA 921/4885L3MBTL1 4079/4885MMP12 4604/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA LMNA 2909/4885L3MBTL1 4495/4885MMP12 4717/4885

“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.