SCHEMBL5207830

SCHEMBL5207830

CCCS(=O)(=O)N(C(=O)OC(C)(C)C)c1cc(OC[C@@H]2CO2)ccc1OC(=O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
TP53 P04637 3/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
HIF1A Q16665 2/20 0.32
PKM P14618 2/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 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
SCHEMBL5207827 1.00 MGLL (0.39) MGLLMEN1KMT2APPARGTDP1
SCHEMBL5679194 0.90 MEN1 (0.37) MEN1KMT2APPARGTDP1HDAC3
SCHEMBL6552283 0.90 MEN1 (0.37) MEN1KMT2APPARGTDP1HDAC3
SCHEMBL3290077 0.85 MEN1 (0.36) MEN1KMT2APPARGHDAC3HDAC1
SCHEMBL5209967 0.85 MEN1 (0.36) MEN1KMT2APPARGHDAC3HDAC1
SCHEMBL5263054 0.81 MEN1 (0.39) MEN1KMT2APPARGTDP1TP53
SCHEMBL3287419 0.81 MEN1 (0.39) MEN1KMT2APPARGTDP1TP53
SCHEMBL3142761 0.80 MEN1 (0.40) MEN1KMT2APPARGTDP1TP53
SCHEMBL5203422 0.80 MEN1 (0.40) MEN1KMT2APPARGTDP1TP53
SCHEMBL3142767 0.80 MEN1 (0.40) MEN1KMT2APPARGTDP1TP53

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
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 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-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 MGLL 3261/4885MEN1 3014/4885KMT2A 2208/4885

“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.