SCHEMBL6541194

SCHEMBL6541194

COc1ccc(S(=O)(=O)c2ccc(C[C@@H](CO)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.58
ADRB2 P07550 13/20 0.57
ADRB1 P08588 6/20 0.57
SLC2A1 P11166 4/20 0.55
GLA P06280 1/20 0.54
CYP2D6 P10635 2/20 0.53
CYP3A4 P08684 1/20 0.53
HIF1A Q16665 1/20 0.53
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL6541204 1.00 ADRB3 (0.58) ADRB3ADRB2ADRB1SLC2A1GLA
SCHEMBL6553079 0.90 ADRB3 (0.58) ADRB3ADRB2ADRB1SLC2A1GLA
SCHEMBL6541565 0.89 ADRB3 (0.72) ADRB3ADRB2ADRB1SLC2A1GLA
Hydrochloric Acid SCHEMBL6554059 0.89 ADRB3 (0.57) ADRB3ADRB2ADRB1SLC2A1GLA
SCHEMBL6553076 0.89 ADRB3 (0.57) ADRB3ADRB2ADRB1SLC2A1GLA
Hydrochloric Acid SCHEMBL6539499 0.88 SLC2A1 (0.72) ADRB3ADRB2ADRB1SLC2A1GLA
Hydrochloric Acid SCHEMBL6554057 0.88 ADRB3 (0.56) ADRB3ADRB2ADRB1SLC2A1GLA
SCHEMBL6540533 0.87 ADRB3 (0.69) ADRB3ADRB2ADRB1SLC2A1GLA
SCHEMBL6540539 0.87 ADRB3 (0.69) ADRB3ADRB2ADRB1SLC2A1GLA
Hydrochloric Acid SCHEMBL6540803 0.86 ADRB3 (0.68) ADRB3ADRB2ADRB1SLC2A1GLA

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 58/4885ADRB2 4/4885ADRB1 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.