SCHEMBL3368031

SCHEMBL3368031

O=S(=O)([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=c1c2ccccc2oc2ccc([I+]c3ccc4oc5ccccc5c(=O)c4c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 2/20 0.40
PGAM1 P18669 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TTR P02766 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 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
SCHEMBL3367584 0.92 CYP3A4 (0.43) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL3370834 0.91 PGR (0.35) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL3369221 0.85 TTR (0.48) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL3367462 0.85 MAOA (0.48) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL3517333 0.84 PIK3CD (0.37) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL3368532 0.84 MAOA (0.45) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL3367837 0.83 MAOA (0.44) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL3525747 0.83 TTR (0.40) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL3370131 0.82 TTR (0.46) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL3367995 0.81 TTR (0.45) MAOAALDH1A1HPGDSMN1; SMN2CYP3A4

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 MAOA 1663/4885ALDH1A1 1190/4885HPGD 1227/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MAOA 1429/4885ALDH1A1 2676/4885HPGD 487/4885

“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.