SCHEMBL3367481

SCHEMBL3367481

O=c1ccc2ccc([I+](OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)c3ccc4ccc(=O)oc4c3)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 5/20 0.42
GAA P10253 4/20 0.42
STS P08842 1/20 0.42
MAOB P27338 3/20 0.41
CA12 O43570 13/20 0.41
CA9 Q16790 11/20 0.41
CA1 P00915 11/20 0.41
CA7 P43166 7/20 0.39
CA4 P22748 6/20 0.39
CA5A P35218 6/20 0.39
KDM4E B2RXH2 5/20 0.39
CA6 P23280 5/20 0.39
CA14 Q9ULX7 5/20 0.39
ALDH1A1 P00352 4/20 0.39
AKR1B1 P15121 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CA3 P07451 3/20 0.39
MCL1 Q07820 4/20 0.39
TDP1 Q9NUW8 3/20 0.39

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
SCHEMBL3367854 0.86 NPC1 (0.38) GLAGAASTSMAOBCA12
SCHEMBL3369689 0.83 PKM (0.46) GLAGAASTSMAOBCA12
SCHEMBL3368475 0.80 GLA (0.39) GLAGAASTSMAOBCA12
SCHEMBL3371477 0.80 MAOB (0.61) GLAGAASTSMAOBCA12
SCHEMBL3367268 0.78 GLA (0.43) GLAGAASTSMAOBCA12
SCHEMBL3371438 0.78 CA12 (0.56) GLAGAASTSMAOBCA12
SCHEMBL3371852 0.78 MAOB (0.41) GLAGAASTSMAOBCA12
SCHEMBL3367177 0.78 MAOB (0.43) GLAGAASTSMAOBCA12
Hydrogen Sulfide SCHEMBL6869306 0.76 MAOB (0.63) GLAGAASTSMAOBCA12
SCHEMBL3370959 0.73 GLA (0.39) GLAGAASTSMAOBCA12

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 GLA 884/4885GAA 1801/4885STS 453/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA GLA 2301/4885GAA 2270/4885STS 959/4885

“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.