SCHEMBL3519030

SCHEMBL3519030

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCAT1 P54687 1/20 0.39
HTT P42858 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
MAOB P27338 2/20 0.36
HTR6 P50406 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
TP53 P04637 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
SCHEMBL3521318 0.93 HTT (0.41) LMNAL3MBTL1BCAT1HTTALDH1A1
SCHEMBL3520658 0.89 BCAT1 (0.36) LMNAL3MBTL1BCAT1HTTALDH1A1
SCHEMBL3522946 0.88 MAOA (0.44) LMNAL3MBTL1BCAT1HTTALDH1A1
SCHEMBL3523837 0.87 LMNA (0.40) LMNAL3MBTL1BCAT1HTTALDH1A1
SCHEMBL3520236 0.86 BCAT1 (0.42) LMNAL3MBTL1BCAT1HTTALDH1A1
SCHEMBL3519676 0.83 HTT (0.37) LMNAL3MBTL1BCAT1HTTALDH1A1
SCHEMBL3520221 0.82 HTT (0.37) LMNAL3MBTL1BCAT1HTTALDH1A1
SCHEMBL3523582 0.81 NPC1 (0.47) LMNAL3MBTL1HTTALDH1A1SMN1; SMN2
SCHEMBL3520594 0.80 LMNA (0.41) LMNAL3MBTL1BCAT1HTTALDH1A1
SCHEMBL3519821 0.77 MAOA (0.40) LMNAL3MBTL1BCAT1HTTALDH1A1

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 3 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

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 LMNA 2909/4885L3MBTL1 4495/4885BCAT1 353/4885

“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.