SCHEMBL3367709

SCHEMBL3367709

O=C([O-])C(F)(F)C(F)(F)CF.O=c1ccc2ccc([I+]c3ccc4ccc(=O)oc4c3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 12/20 0.39
CA12 O43570 10/20 0.39
KDM4E B2RXH2 9/20 0.39
CA1 P00915 6/20 0.39
ALDH1A1 P00352 6/20 0.39
GLA P06280 5/20 0.39
HSD17B10 Q99714 5/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
AKR1B1 P15121 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
MCL1 Q07820 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 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
SCHEMBL3371523 0.87 TTR (0.38) KDM4EALDH1A1GLAHSD17B10HPGD
SCHEMBL3370905 0.83 KDM4E (0.39) CA9CA12KDM4ECA1ALDH1A1
SCHEMBL3367831 0.83 KDM4E (0.39) CA9CA12KDM4ECA1ALDH1A1
Acetic Acid SCHEMBL3371206 0.79 CA9 (0.53) CA9CA12KDM4ECA1ALDH1A1
SCHEMBL6880932 0.77 CA12 (0.57) CA9CA12KDM4ECA1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL3367262 0.75 CA12 (0.42) CA9CA12KDM4ECA1ALDH1A1
Bromide SCHEMBL3367230 0.75 CA12 (0.55) CA9CA12KDM4ECA1ALDH1A1
Hydrochloric Acid SCHEMBL3368089 0.75 CA12 (0.55) CA9CA12KDM4ECA1ALDH1A1
SCHEMBL3367235 0.74 TTR (0.44) KDM4EALDH1A1GLAHSD17B10HPGD
Perchlorate SCHEMBL3367766 0.74 CA12 (0.50) CA9CA12KDM4ECA1ALDH1A1

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 CA9 704/4885CA12 3023/4885KDM4E 2670/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA CA9 1184/4885CA12 2139/4885KDM4E 2415/4885

“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.