SCHEMBL3369684

SCHEMBL3369684

O=S(=O)([O-])c1ccc(F)cc1.O=c1ccc2ccc([I+]c3ccc4ccc(=O)oc4c3)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
PGR P06401 4/20 0.44
GLA P06280 4/20 0.40
GAA P10253 3/20 0.40
STS P08842 1/20 0.40
CA12 O43570 6/20 0.40
KDM4E B2RXH2 5/20 0.40
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
AKR1B1 P15121 3/20 0.40
HPGD P15428 3/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
MCL1 Q07820 2/20 0.40
ERAP1 Q9NZ08 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3371472 0.88 MAOB (0.52) PKMPGRGLAGAASTS
SCHEMBL3371435 0.86 CA12 (0.49) PKMGLAGAASTSCA12
SCHEMBL3370781 0.86 PKM (0.40) PKMPGRGLACA12KDM4E
SCHEMBL3367171 0.86 PGR (0.40) PKMPGRGLAGAASTS
SCHEMBL3371666 0.85 CA12 (0.48) PKMGLAGAASTSCA12
SCHEMBL3368471 0.85 PKM (0.39) PKMPGRGLAGAASTS
SCHEMBL3367474 0.84 GLA (0.40) PKMPGRGLAGAASTS
SCHEMBL3371848 0.82 PGR (0.39) PKMPGRGLAGAASTS
Trifluoromethanesulfonic Acid SCHEMBL3367262 0.82 CA12 (0.42) GLAGAASTSCA12KDM4E
SCHEMBL3370844 0.81 CA12 (0.45) PKMPGRGLAGAACA12

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-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 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 306/4885GLA 884/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA PKM 2709/4885PGR 1629/4885GLA 2301/4885

“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.