SCHEMBL8735609

SCHEMBL8735609

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 1/20 0.37
GAA P10253 1/20 0.35
CA2 P00918 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
HPGD P15428 3/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
ACHE P22303 2/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.33

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
SCHEMBL8736862 0.98 IGFBP3 (0.37) IGFBP3GAACA2NPC1RAB9A
SCHEMBL8737430 0.92 GAA (0.50) IGFBP3GAAHPGDMAPK1SMN1; SMN2
SCHEMBL12086587 0.92 IGFBP3 (0.40) IGFBP3GAACA2NPC1RAB9A
SCHEMBL20219469 0.90 IGFBP3 (0.40) IGFBP3GAACA2NPC1RAB9A
SCHEMBL13088088 0.89 IGFBP3 (0.42) IGFBP3NPC1RAB9AHPGDALOX15
SCHEMBL8734242 0.86 GAA (0.55) IGFBP3GAAHPGDMAPK1SMN1; SMN2
SCHEMBL8736812 0.86 KCNQ3 (0.45) IGFBP3NPC1RAB9AHPGDALOX15
SCHEMBL8735142 0.85 RAB9A (0.43) IGFBP3NPC1RAB9AHPGDALOX15
SCHEMBL8735605 0.84 GAA (0.52) IGFBP3GAAMAPK1SMN1; SMN2KCNQ3
SCHEMBL8736856 0.83 IGFBP3 (0.41) IGFBP3NPC1RAB9AHPGDALOX15

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 IGFBP3 4792/4885GAA 3100/4885CA2 413/4885

“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.