SCHEMBL3369199

SCHEMBL3369199

CCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1.O=c1c2ccccc2oc2ccc([I+]c3ccccc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.37
ACSL1 P33121 1/20 0.36
ACSL6 Q9UKU0 1/20 0.36
CA2 P00918 1/20 0.36
MAOA P21397 2/20 0.36
TTR P02766 1/20 0.36
MAOB P27338 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 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
SCHEMBL3371444 0.97 ALOX15 (0.40) ALOX15LMNACYP2D6CYP2C9TSHR
SCHEMBL3367874 0.89 ALOX15 (0.39) ALOX15LMNACYP2D6CYP2C9TSHR
SCHEMBL3370131 0.85 TTR (0.46) KCNH2ACSL1ACSL6MAOATTR
SCHEMBL3521322 0.84 ALOX15 (0.39) ALOX15LMNACYP2D6CYP2C9TSHR
SCHEMBL3367199 0.83 MAOA (0.42) LMNATSHRHTTKCNH2MAOA
SCHEMBL3369221 0.82 TTR (0.48) KCNH2ACSL1ACSL6MAOATTR
SCHEMBL3367715 0.81 TTR (0.42) ACSL1ACSL6MAOATTRNPC1
SCHEMBL3369513 0.79 MAOA (0.45) LMNATSHRHTTKCNH2MAOA
SCHEMBL8642862 0.78 CYP1A2 (0.54) CYP2D6CYP2C19ACSL1ACSL6MAOA
SCHEMBL5312146 0.78 CYP1A2 (0.54) CYP2D6CYP2C19ACSL1ACSL6MAOA

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 ALOX15 2335/4885LMNA 921/4885CYP2D6 387/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA ALOX15 2070/4885LMNA 2909/4885CYP2D6 4373/4885

“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.