SCHEMBL6683518

SCHEMBL6683518

C[C@H](Cc1ccc(S(=O)(=O)c2ccccc2OCC(=O)O)cc1)N(Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.46
ADRB1 P08588 11/20 0.46
ADRB2 P07550 9/20 0.46
CYP2D6 P10635 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
MAOB P27338 1/20 0.39
GLA P06280 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
SCHEMBL6683514 1.00 ADRB3 (0.46) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6804791 0.87 CNR2 (0.38) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6681061 0.86 PSEN1 (0.40) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6681059 0.86 PSEN1 (0.40) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6541261 0.84 CA12 (0.43) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6541250 0.84 CA12 (0.43) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6541266 0.84 CA12 (0.43) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6676696 0.83 TP53 (0.41) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6806332 0.83 TP53 (0.41) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6680572 0.82 ADRB3 (0.70) ADRB3ADRB1ADRB2CYP2D6ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ADRB3 150/4885ADRB1 39/4885ADRB2 30/4885

“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.