SCHEMBL3517337

SCHEMBL3517337

O=c1ccc2ccc([I+](OS(=O)(=O)c3ccc(C(F)(F)F)cc3)c3ccc4oc5ccccc5c(=O)c4c3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
PTGS2 P35354 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 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
SCHEMBL3370836 0.93 MAOB (0.37) MAOBCYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL3367589 0.92 PTGS2 (0.43) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3370783 0.90 MAOB (0.41) MAOBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3370925 0.90 MAOB (0.49) MAOBALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL3368449 0.88 CA12 (0.45) MAOBALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL3367177 0.87 MAOB (0.43) MAOBCYP1A2ALDH1A1HPGDGAA
SCHEMBL3367716 0.85 NPC1 (0.40) MAOBALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL3368033 0.83 MAOA (0.41) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3367854 0.83 NPC1 (0.38) MAOBALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL3367877 0.81 ALOX15 (0.38) MAOBCYP1A2CYP2C19NPC1MEN1

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 5 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
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 MAOB 1286/4885PTGS2 2568/4885PIK3CD 3402/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MAOB 1248/4885PTGS2 1568/4885PIK3CD 3189/4885

“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.