SCHEMBL3522170

SCHEMBL3522170

O=S(=O)([O-])c1ccc(F)cc1F.O=c1c2ccccc2oc2ccc([S+](c3ccccc3)c3ccccc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
MAOA P21397 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PGAM1 P18669 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL3519149 0.88 TTR (0.43) TTRMAOANPC1RAB9APOLB
SCHEMBL3520322 0.83 TTR (0.47) TTRMAOANPC1RAB9APOLB
SCHEMBL3524249 0.83 TTR (0.45) TTRMAOANPC1RAB9APOLB
SCHEMBL3367522 0.82 MAOA (0.41) TTRMAOANPC1RAB9APOLB
SCHEMBL3370881 0.81 TTR (0.39) TTRMAOANPC1RAB9APOLB
Trifluoromethanesulfonic Acid SCHEMBL3523580 0.81 TTR (0.45) TTRMAOANPC1RAB9APOLB
SCHEMBL5040572 0.80 MAOA (0.58) TTRMAOANPC1RAB9APOLB
SCHEMBL2537983 0.80 HTR2A (0.38) POLBALDH1A1MEN1KMT2A
SCHEMBL3519753 0.79 NPC1 (0.45) TTRMAOANPC1RAB9APOLB
Bromide SCHEMBL3517188 0.79 MAOA (0.56) TTRMAOANPC1RAB9APOLB

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 5 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
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 (1 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-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA TTR 4638/4885MAOA 1429/4885NPC1 4804/4885

“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.