SCHEMBL3520236

SCHEMBL3520236

Cc1ccc(S(OS(=O)(=O)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc3oc4ccccc4c(=S)c3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.42
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL3523837 0.98 LMNA (0.40) BCAT1LMNAL3MBTL1MAOBSMN1; SMN2
SCHEMBL3520594 0.91 LMNA (0.41) BCAT1LMNAL3MBTL1SMN1; SMN2HTR6
SCHEMBL3520949 0.87 MAOA (0.48) BCAT1LMNAL3MBTL1MAOBSMN1; SMN2
SCHEMBL3519030 0.86 LMNA (0.39) BCAT1LMNAL3MBTL1MAOBSMN1; SMN2
SCHEMBL3519756 0.85 MAOA (0.46) BCAT1LMNAL3MBTL1SMN1; SMN2PIK3CD
SCHEMBL3520658 0.82 BCAT1 (0.36) BCAT1LMNAL3MBTL1MAOBSMN1; SMN2
SCHEMBL3523128 0.80 ALDH1A1 (0.36) BCAT1LMNAMAOBSMN1; SMN2PIK3CD
SCHEMBL6879185 0.79 BCAT1 (0.40) BCAT1LMNAL3MBTL1MAOBSMN1; SMN2
SCHEMBL3521318 0.79 HTT (0.41) BCAT1LMNAL3MBTL1SMN1; SMN2HTR6
SCHEMBL3520323 0.78 NPC1 (0.50) LMNAL3MBTL1SMN1; SMN2MAPTMEN1

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-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

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 BCAT1 1269/4885LMNA 921/4885L3MBTL1 4079/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA BCAT1 353/4885LMNA 2909/4885L3MBTL1 4495/4885

“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.