SCHEMBL8736859

SCHEMBL8736859

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 1/20 0.42
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.38
MGLL Q99685 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
ACHE P22303 1/20 0.37
HPGD P15428 3/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
SRD5A2 P31213 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
SCHEMBL8735142 0.98 RAB9A (0.43) IGFBP3RAB9AMAPTMEN1KMT2A
SCHEMBL13088088 0.94 IGFBP3 (0.42) IGFBP3RAB9AMAPTMEN1KMT2A
SCHEMBL8735145 0.91 KCNQ3 (0.45) IGFBP3MAPTLMNAPOLBTDP1
SCHEMBL8735151 0.89 IGFBP3 (0.39) IGFBP3RAB9AMAPTMEN1KMT2A
SCHEMBL8736812 0.89 KCNQ3 (0.45) IGFBP3RAB9AMAPTLMNANPC1
SCHEMBL8736856 0.88 IGFBP3 (0.41) IGFBP3RAB9AMAPTMEN1KMT2A
SCHEMBL8736811 0.86 ELANE (0.41) IGFBP3MAPTMEN1KMT2ALMNA
SCHEMBL8734233 0.86 ALDH1A1 (0.41) IGFBP3RAB9AMAPTMEN1KMT2A
SCHEMBL30043102 0.86 KCNQ3 (0.43) IGFBP3RAB9AMAPTLMNANPC1
SCHEMBL8736862 0.85 IGFBP3 (0.37) IGFBP3RAB9AMAPTMEN1KMT2A

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 4792/4885RAB9A 506/4885MAPT 2842/4885

“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.