SCHEMBL3523837

SCHEMBL3523837

Cc1ccc(S(=O)(=O)OS(c2ccccc2)(c2ccccc2)c2ccc3oc4ccccc4c(=S)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
BCAT1 P54687 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP12 P39900 2/20 0.37
MMP13 P45452 2/20 0.37
MAOB P27338 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3520236 0.98 BCAT1 (0.42) LMNABCAT1L3MBTL1MMP12MMP13
SCHEMBL3520594 0.94 LMNA (0.41) LMNABCAT1L3MBTL1MMP12MMP13
SCHEMBL3519756 0.87 MAOA (0.46) LMNABCAT1L3MBTL1SMN1; SMN2PIK3CD
SCHEMBL3519030 0.87 LMNA (0.39) LMNABCAT1L3MBTL1MMP12MMP13
SCHEMBL3520949 0.85 MAOA (0.48) LMNABCAT1L3MBTL1MAOBSMN1; SMN2
SCHEMBL3523128 0.82 ALDH1A1 (0.36) LMNABCAT1MAOBSMN1; SMN2PIK3CD
SCHEMBL3521318 0.81 HTT (0.41) LMNABCAT1L3MBTL1MMP12MMP13
SCHEMBL3520323 0.81 NPC1 (0.50) LMNAL3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL3520658 0.80 BCAT1 (0.36) LMNABCAT1L3MBTL1MMP12MMP13
SCHEMBL3518352 0.78 MMP12 (0.41) LMNABCAT1L3MBTL1MMP12MMP13

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 6 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

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