SCHEMBL3521322

SCHEMBL3521322

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.38
HIF1A Q16665 1/20 0.38
CA2 P00918 1/20 0.37
ACSL1 P33121 1/20 0.37
ACSL6 Q9UKU0 1/20 0.37
MAOA P21397 2/20 0.37
TTR P02766 1/20 0.37
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
SCHEMBL3520322 0.84 TTR (0.47) NPC1RAB9AACSL1ACSL6MAOA
SCHEMBL3371444 0.84 ALOX15 (0.40) ALOX15NPC1RAB9ALMNACYP2D6
SCHEMBL3369199 0.84 ALOX15 (0.38) ALOX15NPC1RAB9ALMNACYP2D6
SCHEMBL3519753 0.82 NPC1 (0.45) NPC1RAB9ALMNATSHRHTT
SCHEMBL2965334 0.81 CA2 (0.54) LMNACYP2D6CYP2C9TSHRCYP2C19
SCHEMBL2955495 0.81 CA2 (0.54) LMNACYP2D6CYP2C9TSHRCYP2C19
SCHEMBL3520430 0.80 CA2 (0.46) ALOX15LMNACYP2D6CYP2C9TSHR
SCHEMBL3519149 0.80 TTR (0.43) NPC1RAB9AMAOATTRPOLB
SCHEMBL3520947 0.80 NPC1 (0.47) NPC1RAB9ALMNATSHRHTT
SCHEMBL8642862 0.79 CYP1A2 (0.54) NPC1RAB9ACYP2D6CYP2C19ACSL1

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-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 2335/4885NPC1 3094/4885RAB9A 2293/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA ALOX15 2070/4885NPC1 4804/4885RAB9A 2850/4885

“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.