SCHEMBL6539997

SCHEMBL6539997

O=C(O)COc1ccc(S(=O)(=O)c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.60
ADRB1 P08588 16/20 0.60
ADRB2 P07550 13/20 0.60

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
SCHEMBL6540004 1.00 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL6554178 0.86 ADRB2 (0.62) ADRB3ADRB1ADRB2
SCHEMBL6554175 0.85 ADRB2 (0.61) ADRB3ADRB1ADRB2
SCHEMBL6540957 0.85 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL6540966 0.85 ADRB3 (0.57) ADRB3ADRB1ADRB2
SCHEMBL6540626 0.84 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL6553047 0.83 ADRB2 (0.64) ADRB3ADRB1ADRB2
SCHEMBL6553044 0.83 ADRB2 (0.64) ADRB3ADRB1ADRB2
SCHEMBL6540056 0.83 ADRB3 (0.82) ADRB3ADRB1ADRB2
SCHEMBL6540389 0.83 ADRB3 (0.82) ADRB3ADRB1ADRB2

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 58/4885ADRB1 7/4885ADRB2 4/4885

“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.