SCHEMBL8734231

SCHEMBL8734231

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 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
SCHEMBL8737433 0.90 LMNA (0.36) ABCB1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8734242 0.84 GAA (0.55) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8735605 0.82 GAA (0.52) MAPK1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8736808 0.81 GAA (0.48) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13088088 0.80 IGFBP3 (0.42) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8737430 0.80 GAA (0.50) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8736812 0.78 KCNQ3 (0.45) MAPK1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8735142 0.77 RAB9A (0.43) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8735609 0.77 IGFBP3 (0.37) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL30043102 0.75 KCNQ3 (0.43) MAPK1SMN1; SMN2ALDH1A1LMNAHTT

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 ABCB1 2928/4885MEN1 3308/4885KMT2A 1675/4885

“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.