SCHEMBL3517308

SCHEMBL3517308

O=S(=O)([O-])c1ccc(F)cc1.O=c1ccc2ccc([S+](c3ccccc3)c3ccccc3)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
MAOB P27338 4/20 0.44
DRD4 P21917 4/20 0.44
PGR P06401 3/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5A P35218 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CA6 P23280 2/20 0.39
LMNA P02545 1/20 0.39
MCL1 Q07820 1/20 0.39
SOST Q9BQB4 1/20 0.39

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
SCHEMBL3518008 0.92 MAOB (0.51) PKMMAOBDRD4PGRCA12
SCHEMBL3519395 0.88 KDM4E (0.48) PKMMAOBDRD4PGRCA12
SCHEMBL3521366 0.88 DRD4 (0.40) PKMMAOBDRD4PGRCA12
SCHEMBL3524351 0.87 MAOB (0.42) PKMMAOBDRD4PGRCA12
SCHEMBL3519706 0.87 DRD4 (0.43) PKMMAOBDRD4PGRCA12
Trifluoromethanesulfonic Acid SCHEMBL3521812 0.85 DRD4 (0.46) PKMMAOBDRD4PGRCA12
SCHEMBL5038854 0.84 DRD4 (0.54) MAOBDRD4PGRCA12CA1
SCHEMBL3525103 0.84 MAOB (0.41) PKMMAOBDRD4PGRCA12
Bromide SCHEMBL3521936 0.83 DRD4 (0.53) MAOBDRD4PGRCA12CA1
Hydrochloric Acid SCHEMBL3524242 0.83 DRD4 (0.53) MAOBDRD4PGRCA12CA1

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-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 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 PKM 3176/4885MAOB 1286/4885DRD4 1384/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA PKM 2709/4885MAOB 1248/4885DRD4 2345/4885

“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.