SCHEMBL6678508

SCHEMBL6678508

CCOC(=O)CCc1cc(C)ccc1S(=O)(=O)c1ccc(C[C@@H](C)N(C[C@@H](O)c2cccc(Cl)c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
ADRB2 P07550 9/20 0.34
ADRB3 P13945 9/20 0.34
ADRB1 P08588 7/20 0.34
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC2A1 P11166 1/20 0.32
PTGER1 P34995 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 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
SCHEMBL6678505 1.00 BACE1 (0.36) BACE1ADRB2ADRB3ADRB1GLA
SCHEMBL6682398 0.93 ADRB3 (0.38) BACE1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL6682392 0.93 ADRB3 (0.38) BACE1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL6803604 0.84 BACE1 (0.35) BACE1ADRB2ADRB3ADRB1GLA
SCHEMBL6803923 0.84 BACE1 (0.35) BACE1ADRB2ADRB3ADRB1GLA
SCHEMBL6539495 0.83 ADRB3 (0.40) BACE1ADRB2ADRB3ADRB1GLA
SCHEMBL6539501 0.83 ADRB3 (0.40) BACE1ADRB2ADRB3ADRB1GLA
SCHEMBL6803924 0.82 BACE1 (0.36) BACE1ADRB2ADRB3ADRB1GLA
SCHEMBL6803607 0.82 BACE1 (0.36) BACE1ADRB2ADRB3ADRB1GLA
SCHEMBL6803605 0.82 BACE1 (0.36) BACE1ADRB2ADRB3ADRB1GLA

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 BACE1 4413/4885ADRB2 30/4885ADRB3 150/4885

“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.