SCHEMBL6540322

SCHEMBL6540322

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(OC(F)F)cc2)cc1)C[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.39
ADRB2 P07550 2/20 0.38
DAGLA Q9Y4D2 5/20 0.38
BACE1 P56817 3/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
ADRB1 P08588 3/20 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
SCHEMBL6540325 1.00 ADRB3 (0.39) ADRB3ADRB2DAGLABACE1PTGES2
SCHEMBL6540316 1.00 ADRB3 (0.39) ADRB3ADRB2DAGLABACE1PTGES2
SCHEMBL6802914 0.89 ADRB3 (0.39) ADRB3ADRB2BACE1ADRB1
SCHEMBL6802909 0.89 ADRB3 (0.39) ADRB3ADRB2BACE1ADRB1
SCHEMBL6552513 0.89 ADRB3 (0.40) ADRB3ADRB2BACE1ADRB1
SCHEMBL6541560 0.89 BACE1 (0.40) ADRB3ADRB2BACE1ADRB1
SCHEMBL6541562 0.89 BACE1 (0.40) ADRB3ADRB2BACE1ADRB1
SCHEMBL6554211 0.89 BACE1 (0.40) ADRB3ADRB2BACE1ADRB1
SCHEMBL6541553 0.89 BACE1 (0.40) ADRB3ADRB2BACE1ADRB1
SCHEMBL6552509 0.89 ADRB3 (0.39) ADRB3ADRB2BACE1ADRB1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ADRB3 58/4885ADRB2 4/4885DAGLA 2721/4885

“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.