SCHEMBL3519399

SCHEMBL3519399

Cc1ccc(S(=O)(=O)OS(c2ccccc2)(c2ccccc2)c2ccc3ccc(=O)oc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA9 Q16790 4/20 0.54
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GLA P06280 3/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 3/20 0.43
GBA1 P04062 1/20 0.43
PKM P14618 2/20 0.40
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
VDR P11473 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL3523373 0.95 CA12 (0.58) MAOBCA12CA1CA9KDM4E
SCHEMBL3518009 0.94 MAOB (0.63) MAOBCA12CA1CA9KDM4E
SCHEMBL3517310 0.88 MAOB (0.56) MAOBCA12CA1CA9KDM4E
SCHEMBL3520931 0.87 MAOB (0.50) MAOBCA12CA1CA9KDM4E
SCHEMBL3524354 0.85 MAOB (0.53) MAOBCA12CA1CA9KDM4E
SCHEMBL3517958 0.83 CA12 (0.48) MAOBCA12CA1CA9KDM4E
SCHEMBL3519709 0.82 MAOB (0.52) MAOBCA12CA1CA9KDM4E
SCHEMBL3520432 0.82 MAOB (0.47) MAOBCA12CA1CA9KMT2A
SCHEMBL3525107 0.81 MAOB (0.49) MAOBCA12CA1CA9KDM4E
SCHEMBL3520524 0.81 ALDH1A1 (0.41) MAOBKDM4EALDH1A1GLAGAA

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 MAOB 1286/4885CA12 3023/4885CA1 1267/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MAOB 1248/4885CA12 2139/4885CA1 1258/4885

“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.