SCHEMBL6539641

SCHEMBL6539641

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)NC[C@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.48
ADRB1 P08588 10/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
USP2 O75604 2/20 0.48
ADRA1A P35348 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
NR1I2 O75469 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL6539647 1.00 ADRB3 (0.48) ADRB3ADRB1CYP3A4CYP2D6USP2
SCHEMBL6553106 0.90 ADRB3 (0.61) ADRB3ADRB1CYP3A4CYP2D6USP2
SCHEMBL6553102 0.90 ADRB3 (0.61) ADRB3ADRB1CYP3A4CYP2D6USP2
SCHEMBL6541299 0.89 ADRB3 (0.60) ADRB3ADRB1CYP3A4CYP2D6USP2
SCHEMBL6541292 0.89 ADRB3 (0.50) ADRB3ADRB1CYP3A4CYP2D6USP2
SCHEMBL6539716 0.87 ADRB3 (0.65) ADRB3ADRB1CYP3A4CYP2D6ADRA1A
SCHEMBL6553139 0.87 ADRB3 (0.65) ADRB3ADRB1CYP3A4CYP2D6ADRA1A
SCHEMBL6553136 0.87 ADRB3 (0.65) ADRB3ADRB1CYP3A4CYP2D6ADRA1A
SCHEMBL6539713 0.87 ADRB3 (0.65) ADRB3ADRB1CYP3A4CYP2D6ADRA1A
SCHEMBL10773274 0.87 ADRB1 (0.60) ADRB3ADRB1CYP3A4CYP2D6USP2

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 7/4885CYP3A4 4197/4885

“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.