SCHEMBL5042432

SCHEMBL5042432

Cc1ccc(S(=O)(=O)OS(c2ccccc2)(c2ccccc2)c2cccc3c(=O)c4ccccc4oc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TTR P02766 1/20 0.38
TP53 P04637 1/20 0.38
RET P07949 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
KDR P35968 1/20 0.38
HTT P42858 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL3523128 0.88 ALDH1A1 (0.36) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL3517598 0.82 CYP2A6 (0.40) KDM4EALDH1A1NPSR1RXFP1PIK3CD
SCHEMBL3519756 0.82 MAOA (0.46) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL3520069 0.81 MAOA (0.47) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL3520949 0.79 MAOA (0.48) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL3137513 0.77 HTR6 (0.42) KDM4EALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL3517035 0.75 MAOA (0.39) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL3520323 0.75 NPC1 (0.50) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL3127299 0.74 VDR (0.42) KDM4EALDH1A1LMNAALOX12HTT
SCHEMBL2955938 0.73 VDR (0.49) KDM4EALDH1A1LMNAALOX12HTT

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
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-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 (1 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 MAOA 1663/4885KDM4E 2670/4885ALDH1A1 1190/4885

“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.