SCHEMBL3370959

SCHEMBL3370959

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 5/20 0.39
GAA P10253 4/20 0.39
STS P08842 1/20 0.39
CA12 O43570 13/20 0.39
CA9 Q16790 12/20 0.39
CA1 P00915 11/20 0.39
KDM4E B2RXH2 5/20 0.37
CA7 P43166 5/20 0.37
CA4 P22748 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CA6 P23280 4/20 0.37
CA5A P35218 4/20 0.37
CA14 Q9ULX7 4/20 0.37
AKR1B1 P15121 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CA3 P07451 2/20 0.37
MAOB P27338 2/20 0.36
MCL1 Q07820 3/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL3371461 0.99 GLA (0.39) GLAGAASTSCA12CA9
SCHEMBL3371703 0.87 NPC1 (0.36) GLAGAASTSCA12CA9
SCHEMBL3365946 0.86 NPC1 (0.35) GLAGAASTSCA12CA9
SCHEMBL3367268 0.86 GLA (0.43) GLAGAASTSCA12CA9
Hydrogen Sulfide SCHEMBL6875853 0.79 GLA (0.58) GLAGAASTSCA12CA9
SCHEMBL3521814 0.75 CA9 (0.39) GLAGAACA12CA9CA1
SCHEMBL3367177 0.75 MAOB (0.43) GLAGAASTSCA12CA9
SCHEMBL3367834 0.75 CA9 (0.39) GLAGAACA12CA9CA1
SCHEMBL3371852 0.75 MAOB (0.41) GLAGAASTSCA12CA9
SCHEMBL3365262 0.74 MAOA (0.41) GLAKDM4EALDH1A1HPGDHSD17B10

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-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
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 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.