SCHEMBL6804733

SCHEMBL6804733

CCC(=O)Nc1ccc(S(=O)(=O)c2ccc(CCN(C[C@@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.41
ADRB1 P08588 10/20 0.41
BACE1 P56817 5/20 0.40
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR2 Q8TDS4 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
SCHEMBL6677024 1.00 ADRB3 (0.41) ADRB3ADRB1BACE1ALDH1A1LMNA
SCHEMBL6803309 0.95 ADRB3 (0.41) ADRB3ADRB1BACE1HCAR2
SCHEMBL6681897 0.95 ADRB3 (0.41) ADRB3ADRB1BACE1HCAR2
SCHEMBL6679501 0.93 ADRB3 (0.47) ADRB3ADRB1BACE1ALDH1A1KDM4E
SCHEMBL6804694 0.93 ADRB3 (0.42) ADRB3ADRB1BACE1
SCHEMBL6683336 0.93 ADRB3 (0.42) ADRB3ADRB1BACE1
SCHEMBL6679498 0.93 ADRB3 (0.47) ADRB3ADRB1BACE1ALDH1A1KDM4E
SCHEMBL6680602 0.91 BACE1 (0.39) ADRB3ADRB1BACE1
SCHEMBL6683357 0.91 BACE1 (0.39) ADRB3ADRB1BACE1
SCHEMBL6676378 0.91 BACE1 (0.40) ADRB3ADRB1BACE1

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 ADRB3 150/4885ADRB1 39/4885BACE1 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.