SCHEMBL6539833

SCHEMBL6539833

CN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)c2ccc(CCN(C[C@@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.36
ADRB1 P08588 4/20 0.35
ADRB3 P13945 10/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 2/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6539831 1.00 BACE1 (0.36) BACE1ADRB1ADRB3KMT2AADRB2
SCHEMBL6540741 0.90 ADRB3 (0.36) BACE1ADRB1ADRB3ADRB2
SCHEMBL6539911 0.90 ADRB3 (0.36) BACE1ADRB1ADRB3ADRB2
SCHEMBL6540282 0.90 ADRB3 (0.42) BACE1ADRB1ADRB3
SCHEMBL6540274 0.90 ADRB3 (0.42) BACE1ADRB1ADRB3
SCHEMBL6540558 0.88 CCR5 (0.38) BACE1ADRB1ADRB3ADRB2
SCHEMBL6540553 0.88 CCR5 (0.38) BACE1ADRB1ADRB3ADRB2
SCHEMBL6541210 0.87 BACE1 (0.39) BACE1ADRB1ADRB3KMT2AADRB2
SCHEMBL6541213 0.87 BACE1 (0.39) BACE1ADRB1ADRB3KMT2AADRB2
SCHEMBL6541176 0.86 ADRB3 (0.46) BACE1ADRB1ADRB3KMT2AADRB2

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 3900/4885ADRB1 7/4885ADRB3 58/4885

“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.