SCHEMBL3369689

SCHEMBL3369689

O=c1ccc2ccc([I+](OS(=O)(=O)c3ccc(F)cc3)c3ccc4ccc(=O)oc4c3)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
MAOB P27338 3/20 0.46
PGR P06401 3/20 0.43
CA12 O43570 9/20 0.42
CA1 P00915 8/20 0.42
CA9 Q16790 6/20 0.42
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
STS P08842 1/20 0.41
CA4 P22748 4/20 0.39
CA5A P35218 4/20 0.39
CA7 P43166 4/20 0.39
CA2 P00918 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
AKR1B1 P15121 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CA6 P23280 2/20 0.38

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
SCHEMBL3371438 0.87 CA12 (0.56) PKMMAOBCA12CA1CA9
SCHEMBL3371477 0.87 MAOB (0.61) MAOBPGRCA12CA1CA9
SCHEMBL3370783 0.87 MAOB (0.41) PKMMAOBPGRCA12CA1
SCHEMBL3367177 0.86 MAOB (0.43) PKMMAOBPGRCA12CA1
SCHEMBL3368475 0.84 GLA (0.39) PKMMAOBPGRCA12CA1
SCHEMBL3367481 0.83 GLA (0.42) MAOBPGRCA12CA1CA9
SCHEMBL3371852 0.81 MAOB (0.41) MAOBPGRCA12CA1CA9
SCHEMBL3367197 0.79 CA12 (0.44) MAOBCA12CA1CA9GAA
SCHEMBL3367268 0.77 GLA (0.43) MAOBCA12CA1CA9GLA
SCHEMBL3370925 0.76 MAOB (0.49) MAOBCA12CA1CA9GLA

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 PKM 3176/4885MAOB 1286/4885PGR 306/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA PKM 2709/4885MAOB 1248/4885PGR 1629/4885

“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.