SCHEMBL3524568

SCHEMBL3524568

FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.O=c1ccc2ccc([S+](c3ccccc3)c3ccccc3)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.45
DRD4 P21917 4/20 0.42
CA12 O43570 6/20 0.39
CA9 Q16790 6/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 3/20 0.39
CA3 P07451 3/20 0.39
CA4 P22748 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
MAOB P27338 4/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CA6 P23280 2/20 0.37
MCL1 Q07820 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
SOST Q9BQB4 1/20 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
SCHEMBL3525761 0.85 DRD4 (0.47) PGRDRD4CA12CA9CA1
SCHEMBL3525103 0.84 MAOB (0.41) PGRDRD4CA12CA9CA1
SCHEMBL3521157 0.82 DRD4 (0.52) PGRDRD4CA12CA9CA1
SCHEMBL5038854 0.82 DRD4 (0.54) PGRDRD4CA12CA9CA1
Hydrochloric Acid SCHEMBL3524242 0.81 DRD4 (0.53) PGRDRD4CA12CA9CA1
Bromide SCHEMBL3521936 0.81 DRD4 (0.53) PGRDRD4CA12CA9CA1
SCHEMBL3524351 0.81 MAOB (0.42) PGRDRD4CA12CA9CA1
SCHEMBL3518835 0.80 DRD4 (0.52) PGRDRD4CA12CA9CA1
SCHEMBL3244276 0.79 TSHR (0.41) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL3522776 0.78 DRD4 (0.46) PGRDRD4CA12CA9CA1

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 6 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-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 PGR 306/4885DRD4 1384/4885CA12 3023/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA PGR 1629/4885DRD4 2345/4885CA12 2139/4885

“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.