SCHEMBL3524403

SCHEMBL3524403

CC(=O)OS(c1ccccc1)(c1ccccc1)c1ccc2ccc(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 11/20 0.51
CA12 O43570 9/20 0.51
KDM4E B2RXH2 7/20 0.51
GLA P06280 3/20 0.51
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAOB P27338 3/20 0.50
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.43
CA1 P00915 4/20 0.43
CA3 P07451 3/20 0.43
CA4 P22748 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5A P35218 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL5034546 0.82 MAOB (0.44) CA9CA12KDM4EGLAGAA
SCHEMBL3518314 0.81 MAOB (0.42) CA9CA12KDM4EGLAGAA
SCHEMBL3521988 0.81 MAOB (0.42) CA9CA12KDM4EGLAGAA
SCHEMBL3518009 0.78 MAOB (0.63) CA9CA12KDM4EGLAGAA
SCHEMBL3520943 0.78 MAOB (0.52) CA9CA12KDM4EGLAGAA
SCHEMBL106041 0.76 BCAT1 (0.42) KDM4ETDP1KMT2AALDH1A1HPGD
SCHEMBL3519399 0.76 MAOB (0.56) CA9CA12KDM4EGLAGAA
SCHEMBL3521815 0.75 MAOB (0.52) CA9CA12KDM4EGLAGAA
SCHEMBL3523611 0.74 NPC1 (0.54) KDM4EGLAPOLBKMT2AALDH1A1
SCHEMBL3517310 0.73 MAOB (0.56) CA9CA12KDM4EGLAGAA

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 CA9 704/4885CA12 3023/4885KDM4E 2670/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA CA9 1184/4885CA12 2139/4885KDM4E 2415/4885

“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.