SCHEMBL3368449

SCHEMBL3368449

Cc1ccc(S(=O)(=O)O[I+](c2ccc3ccc(=O)oc3c2)c2ccc3oc4ccccc4c(=O)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
MAOB P27338 1/20 0.41
NPC1 O15118 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 3/20 0.39
GLA P06280 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
MAOA P21397 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 2/20 0.36
BCAT1 P54687 1/20 0.36
GBA1 P04062 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3370925 0.92 MAOB (0.49) CA12CA1CA9MAOBNPC1
SCHEMBL3369515 0.91 MAOA (0.46) MAOBNPC1KMT2AMEN1KDM4E
SCHEMBL3370783 0.90 MAOB (0.41) CA12CA1CA9MAOBNPC1
SCHEMBL3517337 0.88 MAOB (0.39) CA12CA1CA9MAOBNPC1
SCHEMBL3371438 0.87 CA12 (0.56) CA12CA1CA9MAOBKMT2A
SCHEMBL3367877 0.85 ALOX15 (0.38) CA12CA1CA9MAOBNPC1
SCHEMBL3370836 0.84 MAOB (0.37) CA12CA1CA9MAOBNPC1
SCHEMBL3367854 0.83 NPC1 (0.38) CA12CA1CA9MAOBNPC1
SCHEMBL3369224 0.82 NPC1 (0.49) NPC1KMT2AMEN1KDM4EGLA
SCHEMBL3367716 0.81 NPC1 (0.40) CA12CA1CA9MAOBNPC1

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 6 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-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 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

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 CA12 3023/4885CA1 1267/4885CA9 704/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA CA12 2139/4885CA1 1258/4885CA9 1184/4885

“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.