SCHEMBL6541789

SCHEMBL6541789

NCCOc1ccc(S(=O)(=O)c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.62
ADRB1 P08588 10/20 0.62

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
Hydrochloric Acid SCHEMBL6540695 0.99 ADRB3 (0.62) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6541149 0.91 ADRB3 (0.66) ADRB3ADRB1
SCHEMBL6541340 0.88 ADRB3 (0.69) ADRB3ADRB1
SCHEMBL6541346 0.88 ADRB3 (0.69) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6541424 0.88 ADRB3 (0.65) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6541515 0.87 ADRB3 (0.69) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6541519 0.87 ADRB3 (0.69) ADRB3ADRB1
SCHEMBL6540056 0.87 ADRB3 (0.82) ADRB3ADRB1
SCHEMBL6540389 0.87 ADRB3 (0.82) ADRB3ADRB1
SCHEMBL6540048 0.87 ADRB3 (0.82) ADRB3ADRB1

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 claimed

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 7/4885

“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.