SCHEMBL3518352

SCHEMBL3518352

CC(=O)OS(c1ccccc1)(c1ccccc1)c1ccc2oc3ccccc3c(=S)c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.41
MMP13 P45452 2/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KEAP1 Q14145 1/20 0.38
BCAT1 P54687 2/20 0.38
TTR P02766 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MMP8 P22894 2/20 0.35
MMP3 P08254 1/20 0.35
HTR6 P50406 1/20 0.34

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
SCHEMBL3523611 0.86 NPC1 (0.54) MMP12MMP13L3MBTL1NPC1RAB9A
SCHEMBL5034547 0.83 HTT (0.35) MMP12MMP13LMNAL3MBTL1KEAP1
SCHEMBL3520499 0.82 HTT (0.34) MMP12MMP13LMNAL3MBTL1KEAP1
SCHEMBL3520594 0.80 LMNA (0.41) MMP12MMP13LMNAL3MBTL1NPC1
SCHEMBL3519052 0.79 LMNA (0.37) MMP12MMP13LMNAL3MBTL1NPC1
SCHEMBL3523837 0.78 LMNA (0.40) MMP12MMP13LMNAL3MBTL1BCAT1
SCHEMBL3521318 0.77 HTT (0.41) MMP12MMP13LMNAL3MBTL1NPC1
SCHEMBL3520236 0.75 BCAT1 (0.42) MMP12MMP13LMNAL3MBTL1BCAT1
SCHEMBL3519676 0.74 HTT (0.37) MMP12MMP13LMNAL3MBTL1KEAP1
SCHEMBL3519030 0.74 LMNA (0.39) MMP12MMP13LMNAL3MBTL1KEAP1

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 MMP12 4604/4885MMP13 4722/4885LMNA 921/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MMP12 4717/4885MMP13 4823/4885LMNA 2909/4885

“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.