SCHEMBL3520931

SCHEMBL3520931

Cc1ccc(S(=O)(=O)OS(c2ccccc2)(c2ccccc2)c2cc3oc(=O)ccc3cc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GLA P06280 4/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 5/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PGR P06401 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL3519399 0.87 MAOB (0.56) MAOBCA12CA1CA9KDM4E
SCHEMBL3522451 0.83 MAOB (0.45) MAOBCA12CA9KDM4EALDH1A1
SCHEMBL3523373 0.82 CA12 (0.58) MAOBCA12CA1CA9KDM4E
SCHEMBL3517598 0.81 CYP2A6 (0.40) MAOBCA12CA1CA9KDM4E
SCHEMBL3518009 0.80 MAOB (0.63) MAOBCA12CA1CA9KDM4E
SCHEMBL4861379 0.78 ALDH1A1 (0.48) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL3524257 0.78 MAOB (0.41) MAOBCA12CA9KDM4EALDH1A1
Hydrogen Sulfide SCHEMBL6877387 0.76 CA12 (0.54) MAOBCA12CA1CA9KDM4E
SCHEMBL3517310 0.75 MAOB (0.56) MAOBCA12CA1CA9KDM4E
SCHEMBL3127299 0.75 VDR (0.42) CA12CA1CA9KDM4EALDH1A1

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
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

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.