SCHEMBL3521986

SCHEMBL3521986

O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=c1ccc2ccc([S+](c3ccccc3)c3ccccc3)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.40
CA12 O43570 8/20 0.38
CA9 Q16790 8/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 3/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 3/20 0.36
CA3 P07451 3/20 0.36
CA4 P22748 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
MAOB P27338 3/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
GLA P06280 2/20 0.36

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
SCHEMBL3518311 1.00 DRD4 (0.40) DRD4CA12CA9POLBKMT2A
SCHEMBL3521147 0.96 DRD4 (0.41) DRD4CA12CA9POLBKMT2A
SCHEMBL3524304 0.83 DRD4 (0.40) DRD4CA12CA9POLBKMT2A
Acetic Acid SCHEMBL3524399 0.82 CA9 (0.48) DRD4CA12CA9POLBKMT2A
SCHEMBL3519463 0.81 DRD4 (0.41) DRD4CA12CA9POLBKMT2A
SCHEMBL4962404 0.81 THRB (0.42) CA1CA2
SCHEMBL4962900 0.81 THRB (0.42) CA1CA2
SCHEMBL4962222 0.81 THRB (0.42) CA1CA2
SCHEMBL4962460 0.81 THRB (0.42) CA1CA2
SCHEMBL1573975 0.79 THRB (0.39) KDM4ECA1CA2CA4

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 DRD4 1384/4885CA12 3023/4885CA9 704/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA DRD4 2345/4885CA12 2139/4885CA9 1184/4885

“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.