SCHEMBL6540600

SCHEMBL6540600

COc1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.74
PKM P14618 2/20 0.61
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50
LOX P28300 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL10775490 0.88 TAAR1 (0.55) SLC6A4TAAR1
Para-Methoxyamphetamine SCHEMBL394418 0.86 SLC6A4 (1.00) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
Para-Methoxyamphetamine SCHEMBL264634 0.86 SLC6A4 (1.00) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
Para-Methoxyamphetamine SCHEMBL895775 0.86 SLC6A4 (1.00) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
Para-Methoxyamphetamine SCHEMBL7253563 0.84 SLC6A4 (0.96) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
Para-Methoxyamphetamine SCHEMBL10975159 0.84 SLC6A4 (0.96) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
Hydrochloric Acid SCHEMBL6540026 0.83 PKM (0.56) SLC6A4PKMBCHEACHEGAA
Hydrochloric Acid SCHEMBL6540034 0.83 PKM (0.56) SLC6A4PKMBCHEACHEGAA
SCHEMBL6552730 0.82 POLB (0.66) SLC6A4PKMTAAR1POLB
SCHEMBL9468512 0.81 SLC6A4 (0.89) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 SLC6A4 2508/4885PKM 1997/4885BCHE 2596/4885

“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.