SCHEMBL3367208

SCHEMBL3367208

O=c1ccc2cc(S(OS(=O)(=O)C(F)(F)F)(c3ccccc3)c3ccccc3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.49
PGR P06401 2/20 0.46
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL3521815 0.91 MAOB (0.52) PKMPGRMAOBKMT2AMEN1
SCHEMBL3522451 0.82 MAOB (0.45) PKMPGRMAOBSMN1; SMN2HTT
SCHEMBL3517958 0.81 CA12 (0.48) PKMMAOBKMT2AMEN1CA12
SCHEMBL3519467 0.80 MAOB (0.46) PKMPGRMAOBKMT2AMEN1
SCHEMBL3524309 0.79 MAOB (0.46) PKMPGRMAOBKMT2AMEN1
SCHEMBL3523582 0.77 NPC1 (0.47) SMN1; SMN2KMT2AMEN1HTT
SCHEMBL3518009 0.76 MAOB (0.63) PGRMAOBKMT2AMEN1CA12
SCHEMBL3524354 0.76 MAOB (0.53) PKMPGRMAOBKMT2AMEN1
SCHEMBL37033 0.76 HTR6 (0.42) SMN1; SMN2HTTCA12CA9
SCHEMBL3525107 0.75 MAOB (0.49) PKMPGRMAOBKMT2AMEN1

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 8 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-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 EP 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 PKM 3176/4885PGR 306/4885MAOB 1286/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA PKM 2709/4885PGR 1629/4885MAOB 1248/4885

“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.