SCHEMBL3524309

SCHEMBL3524309

O=c1ccc2ccc(S(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c3ccccc3)c3ccccc3)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
DRD4 P21917 1/20 0.38
CA12 O43570 7/20 0.36
CA1 P00915 6/20 0.36
CA9 Q16790 6/20 0.36
CA2 P00918 5/20 0.36
CA4 P22748 4/20 0.36
CA7 P43166 4/20 0.36
CA3 P07451 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5A P35218 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
MTNR1A P48039 2/20 0.36
KMT2A Q03164 2/20 0.36
CA6 P23280 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAOA P21397 1/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 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
SCHEMBL3519467 0.99 MAOB (0.46) MAOBDRD4CA12CA1CA9
SCHEMBL3520181 0.89 CA12 (0.44) MAOBDRD4CA12CA1CA9
SCHEMBL3521815 0.87 MAOB (0.52) MAOBDRD4CA12CA1CA9
SCHEMBL3524257 0.84 MAOB (0.41) MAOBDRD4CA12CA9GLA
SCHEMBL965542 0.81 CA2 (0.44) CA1CA2
SCHEMBL4535203 0.81 CA2 (0.44) CA1CA2
SCHEMBL60138 0.81 CA2 (0.44) CA1CA2
SCHEMBL60438 0.81 CA2 (0.44) CA1CA2
SCHEMBL3522205 0.81 ALDH1A1 (0.38) MAOBKMT2AMEN1NPC1MAOA
SCHEMBL3518314 0.80 MAOB (0.42) MAOBDRD4CA12CA1CA9

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 1286/4885DRD4 1384/4885CA12 3023/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MAOB 1248/4885DRD4 2345/4885CA12 2139/4885

“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.