SCHEMBL8736808

SCHEMBL8736808

O=C(c1ccccc1)c1ccc(Sc2ccc([S+](c3ccc(OCCOCCO)cc3)c3ccc(OCCOCCO)cc3)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
PPARA Q07869 3/20 0.38
LSS P48449 2/20 0.36
LTA4H P09960 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 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
SCHEMBL8734242 0.94 GAA (0.55) GAAL3MBTL1LMNAMAPK1MAPT
SCHEMBL8735605 0.92 GAA (0.52) GAAL3MBTL1LMNAMAPK1MAPT
SCHEMBL8737430 0.90 GAA (0.50) GAAL3MBTL1LMNAMAPK1MAPT
SCHEMBL20219470 0.85 GAA (0.58) GAAL3MBTL1LMNAMAPK1MAPT
SCHEMBL8735609 0.83 IGFBP3 (0.37) GAAL3MBTL1LMNAMAPK1MAPT
SCHEMBL13088088 0.82 IGFBP3 (0.42) L3MBTL1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL1788549 0.81 GAA (0.69) GAAL3MBTL1LMNAMAPK1MAPT
SCHEMBL8736862 0.81 IGFBP3 (0.37) GAAL3MBTL1LMNAMAPK1MAPT
SCHEMBL8734231 0.81 ABCB1 (0.41) GAALMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL8736812 0.80 KCNQ3 (0.45) L3MBTL1LMNAMAPK1MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120130117-A1 AROMATIC SULFONIUM SALT COMPOUND ADEKA CORPORATION (JP) 2012-05-24 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-20120130117-A1 AROMATIC SULFONIUM SALT COMPOUND SLC6A19, ARSA, PAH GAA 3100/4885L3MBTL1 4698/4885LMNA 4190/4885

“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.