SCHEMBL3519972

SCHEMBL3519972

F[B-](F)(F)F.S=c1c2ccccc2oc2ccc([S+](c3ccccc3)c3ccccc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TTR P02766 2/20 0.33
CYP3A4 P08684 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
TNKS O95271 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33
ABCB1 P08183 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
SCHEMBL5125869 0.94 NPC1 (0.39) HPGDNPC1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3525780 0.93 NPC1 (0.38) HPGDNPC1RAB9AKDM4EALDH1A1
Bromide SCHEMBL3519084 0.93 NPC1 (0.38) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL3522256 0.89 NPC1 (0.33) HPGDNPC1RAB9AKDM4EALDH1A1
Perchlorate SCHEMBL3519047 0.89 MAPT (0.35) HPGDNPC1RAB9AKDM4EALDH1A1
Acetic Acid SCHEMBL3518350 0.85 NPC1 (0.41) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL5044626 0.84 MAOB (0.46) HPGDNPC1RAB9AKDM4EALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL3521317 0.83 SMN1; SMN2 (0.34) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL3525247 0.83 CYP1A1 (0.32) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL3522120 0.83 MAOA (0.51) HPGDNPC1RAB9AKDM4EALDH1A1

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 HPGD 1227/4885NPC1 3094/4885RAB9A 2293/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA HPGD 487/4885NPC1 4804/4885RAB9A 2850/4885

“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.