SCHEMBL3517035

SCHEMBL3517035

O=c1c2ccccc2oc2c(S(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c3ccccc3)c3ccccc3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
PTGS2 P35354 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PGAM1 P18669 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM5A P29375 1/20 0.33
TTR P02766 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3520069 0.89 MAOA (0.47) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL3524445 0.89 CA1 (0.30) CA1CA2
SCHEMBL3522617 0.83 CYP2A6 (0.35) CYP3A4CA1CA2
SCHEMBL3521377 0.82 NPC1 (0.42) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL3518432 0.81 NPC1 (0.41) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL3680642 0.79 RORA (0.40) CA1CA2MEN1KMT2A
SCHEMBL3127145 0.78 RORA (0.39) CA1CA2MEN1KMT2A
SCHEMBL3139801 0.78 RORA (0.39) CA1CA2MEN1KMT2A
SCHEMBL9576647 0.77 MAOA (0.52) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL3519718 0.77 PTGES2 (0.32) MAOAKDM4ENPC1ALDH1A1RAB9A

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 MAOA 1663/4885KDM4E 2670/4885NPC1 3094/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA MAOA 1429/4885KDM4E 2415/4885NPC1 4804/4885

“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.