SCHEMBL6540256

SCHEMBL6540256

O=C(O)COc1ccc(S(=O)(=O)c2ccc(CCNC[C@@H](O)c3cccc(Cl)c3)cn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.70
ADRB1 P08588 10/20 0.70
ADRB2 P07550 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL6540249 1.00 ADRB3 (0.70) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6541599 0.99 ADRB3 (0.71) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6541604 0.99 ADRB3 (0.71) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6540056 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6540389 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL6540048 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6539419 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6541140 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6539423 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6540231 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2ADRA1DADRA1A

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.