SCHEMBL3370953

SCHEMBL3370953

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 4/20 0.37
GAA P10253 4/20 0.37
STS P08842 1/20 0.37
CA12 O43570 9/20 0.37
CA9 Q16790 8/20 0.37
CA1 P00915 8/20 0.37
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 4/20 0.37
AKR1B1 P15121 3/20 0.37
HPGD P15428 3/20 0.37
MCL1 Q07820 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 3/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL3371457 0.99 GLA (0.36) GLAGAASTSCA12CA9
SCHEMBL3367218 0.94 MAOB (0.39) GLAGAASTSCA12CA9
SCHEMBL3371699 0.87 MAOA (0.36) GLACA12CA9CA1KDM4E
Trifluoromethanesulfonic Acid SCHEMBL3367262 0.87 CA12 (0.42) GLAGAASTSCA12CA9
SCHEMBL3365943 0.86 MAOA (0.35) GLACA12CA9CA1KDM4E
Trifluoromethanesulfonic Acid SCHEMBL3367494 0.81 MAOB (0.43) GLAGAASTSCA12CA9
Trifluoromethanesulfonic Acid SCHEMBL3365803 0.80 CA12 (0.44) GLAGAASTSCA12CA9
SCHEMBL3367831 0.79 KDM4E (0.39) GLAGAACA12CA9CA1
SCHEMBL3370905 0.79 KDM4E (0.39) GLAGAACA12CA9CA1
SCHEMBL3519463 0.78 DRD4 (0.41) GLAGAASTSCA12CA9

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 GLA 884/4885GAA 1801/4885STS 453/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA GLA 2301/4885GAA 2270/4885STS 959/4885

“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.