SCHEMBL8734233

SCHEMBL8734233

COc1ccc(C(=O)c2ccc(Sc3ccc([S+](c4ccc(O)cc4)c4ccc(O)cc4)cc3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CTSK P43235 1/20 0.39
ESR2 Q92731 1/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL8736811 0.91 ELANE (0.41) ALDH1A1ESR2MAPTHPGDMEN1
SCHEMBL8735145 0.87 KCNQ3 (0.45) ALDH1A1ESR2MAPTHPGDLMNA
SCHEMBL8736859 0.86 IGFBP3 (0.42) ALDH1A1ESR2MAPTHPGDRAB9A
SCHEMBL8735142 0.86 RAB9A (0.43) ALDH1A1ESR2MAPTHPGDRAB9A
SCHEMBL8735151 0.85 IGFBP3 (0.39) ALDH1A1ESR2MAPTHPGDRAB9A
SCHEMBL6113544 0.82 ALDH1A1 (0.48) ALDH1A1GAAMAPTHPGDRAB9A
SCHEMBL13088088 0.80 IGFBP3 (0.42) ALDH1A1MAPTHPGDRAB9AMEN1
SCHEMBL1789029 0.80 PTGIR (0.47) ALDH1A1GAAMAPTHPGDRAB9A
SCHEMBL8735608 0.79 BLM (0.46) ALDH1A1MAPTHPGDMEN1LMNA
SCHEMBL8736805 0.78 HTT (0.47) ALDH1A1ESR2MAPTHPGDLMNA

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 ALDH1A1 607/4885GAA 3100/4885CTSK 3309/4885

“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.