SCHEMBL3522202

SCHEMBL3522202

COc1cc(=O)oc2cc([S+](c3ccccc3)c3ccccc3)ccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 2/20 0.34
CYP2A6 P11509 1/20 0.34
ACHE P22303 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
Trifluoromethanesulfonic Acid SCHEMBL3517066 0.90 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL3520519 0.81 KDM4E (0.41) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL3519463 0.81 DRD4 (0.41) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL3524304 0.80 DRD4 (0.40) GLAMAOBLMNACA12CA1
SCHEMBL3524053 0.79 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL3126974 0.77 GAA (0.38) ALDH1A1L3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL270992 0.77 GAA (0.38) ALDH1A1L3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL6117378 0.76 CA2 (0.37) CA1CA2
SCHEMBL3144121 0.76 KCNH2 (0.36) ALDH1A1HPGDKDM4ECYP3A4LMNA
SCHEMBL3522205 0.76 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10KDM4EGLA

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 ALDH1A1 1190/4885HPGD 1227/4885HSD17B10 1394/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA ALDH1A1 2676/4885HPGD 487/4885HSD17B10 1400/4885

“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.