SCHEMBL6805763

SCHEMBL6805763

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C(=O)O)c2)cc1)C[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.47
ADRB3 P13945 6/20 0.47
BACE1 P56817 5/20 0.42
ADRB2 P07550 1/20 0.39
SERPINE1 P05121 4/20 0.38
SLC16A1 P53985 1/20 0.38
LTC4S Q16873 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PLK1 P53350 2/20 0.36

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
SCHEMBL6680781 1.00 ADRB1 (0.47) ADRB1ADRB3BACE1ADRB2SERPINE1
SCHEMBL6679501 0.92 ADRB3 (0.47) ADRB1ADRB3BACE1SLC16A1
SCHEMBL6683336 0.92 ADRB3 (0.42) ADRB1ADRB3BACE1
SCHEMBL6679498 0.92 ADRB3 (0.47) ADRB1ADRB3BACE1SLC16A1
SCHEMBL6804694 0.92 ADRB3 (0.42) ADRB1ADRB3BACE1
SCHEMBL6803309 0.91 ADRB3 (0.41) ADRB1ADRB3BACE1
SCHEMBL6681897 0.91 ADRB3 (0.41) ADRB1ADRB3BACE1
SCHEMBL6804733 0.91 ADRB3 (0.41) ADRB1ADRB3BACE1
SCHEMBL6677024 0.91 ADRB3 (0.41) ADRB1ADRB3BACE1
SCHEMBL6676378 0.91 BACE1 (0.40) ADRB1ADRB3BACE1

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 1 patent. 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

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 ADRB1 39/4885ADRB3 150/4885BACE1 4413/4885

“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.