SCHEMBL6541562

SCHEMBL6541562

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)CC(O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.40
ADRB3 P13945 8/20 0.39
GLI1 P08151 2/20 0.38
GLI2 P10070 2/20 0.38
ADRB1 P08588 5/20 0.36
ADRB2 P07550 2/20 0.36
SLC2A1 P11166 1/20 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
SCHEMBL6541553 1.00 BACE1 (0.40) BACE1ADRB3GLI1GLI2ADRB1
SCHEMBL6541560 1.00 BACE1 (0.40) BACE1ADRB3GLI1GLI2ADRB1
SCHEMBL6677587 0.94 BACE1 (0.40) BACE1ADRB3ADRB1ADRB2
SCHEMBL6244538 0.94 BACE1 (0.43) BACE1ADRB3GLI1GLI2ADRB1
SCHEMBL6554211 0.93 BACE1 (0.40) BACE1ADRB3ADRB1ADRB2SLC2A1
SCHEMBL6541170 0.91 ADRB3 (0.46) BACE1ADRB3ADRB1ADRB2
SCHEMBL6541176 0.91 ADRB3 (0.46) BACE1ADRB3ADRB1ADRB2
SCHEMBL27656299 0.91 ADRB3 (0.42) BACE1ADRB3GLI1GLI2ADRB1
SCHEMBL27635239 0.91 ADRB3 (0.42) BACE1ADRB3GLI1GLI2ADRB1
SCHEMBL6539642 0.90 ADRB3 (0.39) BACE1ADRB3ADRB1ADRB2

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 BACE1 3900/4885ADRB3 58/4885GLI1 1824/4885

“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.