SCHEMBL6540063

SCHEMBL6540063

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.49
ADRB2 P07550 2/20 0.49
ADRB3 P13945 13/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RORC P51449 1/20 0.45

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
SCHEMBL6540069 1.00 ADRB1 (0.49) ADRB1ADRB2ADRB3KDM4EGAA
SCHEMBL11039373 0.93 ADRB1 (0.55) ADRB1ADRB2ADRB3KDM4EGAA
SCHEMBL6554433 0.90 ADRB3 (0.58) ADRB1ADRB2ADRB3
SCHEMBL6554434 0.90 ADRB3 (0.58) ADRB1ADRB2ADRB3
SCHEMBL6540513 0.90 ADRB3 (0.57) ADRB1ADRB2ADRB3
SCHEMBL6540508 0.90 ADRB3 (0.48) ADRB1ADRB2ADRB3
SCHEMBL11043555 0.87 ADRB1 (0.48) ADRB1ADRB2ADRB3KDM4EGAA
Hydrochloric Acid SCHEMBL6539845 0.85 ADRB3 (0.64) ADRB1ADRB3
Hydrochloric Acid SCHEMBL6539851 0.85 ADRB3 (0.64) ADRB1ADRB3
SCHEMBL6540334 0.83 ADRB1 (0.49) ADRB1ADRB2ADRB3KDM4EGAA

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 ADRB1 7/4885ADRB2 4/4885ADRB3 58/4885

“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.