SCHEMBL3370889

SCHEMBL3370889

O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=c1c2ccccc2oc2ccc([I+]c3ccc4oc5ccccc5c(=O)c4c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PGAM1 P18669 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TTR P02766 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRNA7 P36544 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
SCHEMBL3365257 0.99 MAOA (0.42) MAOASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL3368232 0.97 TTR (0.39) MAOASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL3371641 0.96 TTR (0.40) MAOASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL3365943 0.91 MAOA (0.35) MAOASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL3371699 0.90 MAOA (0.36) MAOASMN1; SMN2KDM4EALDH1A1GLA
Trifluoromethanesulfonic Acid SCHEMBL3367462 0.87 MAOA (0.48) MAOASMN1; SMN2KDM4EALDH1A1GLA
Trifluoromethanesulfonic Acid SCHEMBL3367995 0.84 TTR (0.45) MAOASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL3368717 0.82 TTR (0.44) MAOASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL3371106 0.82 TTR (0.44) MAOASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL3518429 0.82 TTR (0.39) MAOASMN1; SMN2KDM4EALDH1A1GLA

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 MAOA 1663/4885SMN1; SMN2 4320/4885KDM4E 2670/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MAOA 1429/4885SMN1; SMN2 3528/4885KDM4E 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.