SCHEMBL5203201

SCHEMBL5203201

CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCC(NCC(O)COc4ccc(O)c([S+](C)[O-])c4)CC3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.42
ADRB1 P08588 12/20 0.42
ADRB2 P07550 11/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ATF4 P18848 3/20 0.37

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
SCHEMBL5206634 0.92 CYP3A4 (0.44) ADRB3ADRB1ADRB2GAAKDM4E
SCHEMBL5203113 0.88 ADRB1 (0.40) ADRB3ADRB1ADRB2GAAKDM4E
SCHEMBL5206957 0.88 ADRB3 (0.51) ADRB3ADRB1ADRB2GAAKDM4E
SCHEMBL5204833 0.88 ADRB1 (0.54) ADRB3ADRB1ADRB2GAAKDM4E
SCHEMBL5207745 0.83 ADRB1 (0.46) ADRB3ADRB1ADRB2GAAKDM4E
SCHEMBL7470047 0.81 ADRB3 (0.45) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL7458989 0.79 HRH3 (0.43) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL6139617 0.78 ADRB3 (0.41) ADRB3ADRB1ADRB2KDM4ECYP3A4
SCHEMBL6139574 0.76 ALDH1A1 (0.46) ADRB3ADRB1ADRB2KDM4EKMT2A
SCHEMBL5208641 0.71 ADRB3 (0.44) ADRB3ADRB1ADRB2CYP3A4CYP2D6

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 ADRB3 8/4885ADRB1 16/4885ADRB2 18/4885

“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.