SCHEMBL8736862

SCHEMBL8736862

O=C(c1ccc(SCCO)cc1)c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 1/20 0.37
CA2 P00918 2/20 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
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
BCL2L1 Q07817 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8735609 0.98 IGFBP3 (0.37) IGFBP3CA2MEN1KMT2AKCNQ3
SCHEMBL8737430 0.90 GAA (0.50) IGFBP3MEN1KMT2AMAPTALDH1A1
SCHEMBL20219469 0.90 IGFBP3 (0.40) IGFBP3CA2MEN1KMT2AKCNQ3
SCHEMBL12086587 0.90 IGFBP3 (0.40) IGFBP3CA2MEN1KMT2AKCNQ3
SCHEMBL13088088 0.89 IGFBP3 (0.42) IGFBP3MEN1KMT2AKCNQ3KCNQ2
SCHEMBL8735605 0.86 GAA (0.52) IGFBP3KCNQ3KCNQ2MAPTALDH1A1
SCHEMBL8736859 0.85 IGFBP3 (0.42) IGFBP3MEN1KMT2AKCNQ3KCNQ2
SCHEMBL8734242 0.84 GAA (0.55) IGFBP3MEN1KMT2AMAPTALDH1A1
SCHEMBL8736812 0.84 KCNQ3 (0.45) IGFBP3KCNQ3KCNQ2MAPTALDH1A1
SCHEMBL8735142 0.83 RAB9A (0.43) IGFBP3MEN1KMT2AKCNQ3KCNQ2

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 4792/4885CA2 413/4885MEN1 3308/4885

“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.