SCHEMBL6682437

SCHEMBL6682437

C[C@H](Cc1ccc(S(=O)(=O)c2cccc(Oc3cccc(C(=O)O)c3)c2)cc1)NC[C@@H](O)c1cccc(Cl)c1.[NaH]

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.75
ADRB1 P08588 10/20 0.75
SLC2A1 P11166 3/20 0.61
ADRB2 P07550 9/20 0.58
CYP2D6 P10635 2/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CYP3A4 P08684 1/20 0.56
HIF1A Q16665 1/20 0.56
GLA P06280 1/20 0.55

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
SCHEMBL6680737 0.96 ADRB3 (0.76) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6682435 0.92 ADRB3 (0.65) ADRB3ADRB1SLC2A1ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6540979 0.91 ADRB3 (0.71) ADRB3ADRB1SLC2A1ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6540985 0.91 ADRB3 (0.71) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6690367 0.90 ADRB3 (0.62) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6690370 0.90 ADRB3 (0.62) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6539842 0.88 ADRB3 (0.81) ADRB3ADRB1SLC2A1ADRB2CYP2D6
SCHEMBL6680734 0.88 SLC2A1 (0.67) ADRB3ADRB1SLC2A1ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6540589 0.86 ADRB3 (0.81) ADRB3ADRB1SLC2A1ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6540246 0.86 ADRB3 (0.81) ADRB3ADRB1SLC2A1ADRB2CYP2D6

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 39/4885SLC2A1 2444/4885

“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.