SCHEMBL6540553

SCHEMBL6540553

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2cccc(C(N)=O)c2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
ADRB3 P13945 9/20 0.37
BACE1 P56817 5/20 0.37
RORC P51449 2/20 0.35
ADRB1 P08588 3/20 0.35
ADRB2 P07550 2/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL6540558 1.00 CCR5 (0.38) CCR5ADRB3BACE1RORCADRB1
SCHEMBL6540274 0.93 ADRB3 (0.42) ADRB3BACE1ADRB1
SCHEMBL6540282 0.93 ADRB3 (0.42) ADRB3BACE1ADRB1
SCHEMBL6540741 0.90 ADRB3 (0.36) ADRB3BACE1ADRB1ADRB2HSD11B1
SCHEMBL6540663 0.90 CYP4F2 (0.36) ADRB3BACE1
SCHEMBL6539911 0.90 ADRB3 (0.36) ADRB3BACE1ADRB1ADRB2HSD11B1
SCHEMBL6540667 0.90 CYP4F2 (0.36) ADRB3BACE1
SCHEMBL6541176 0.88 ADRB3 (0.46) ADRB3BACE1ADRB1ADRB2
SCHEMBL6541170 0.88 ADRB3 (0.46) ADRB3BACE1ADRB1ADRB2
SCHEMBL6554211 0.88 BACE1 (0.40) ADRB3BACE1ADRB1ADRB2

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 CCR5 889/4885ADRB3 58/4885BACE1 3900/4885

“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.