SCHEMBL6540201

SCHEMBL6540201

COC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 16/20 0.68
ADRB3 P13945 15/20 0.68
ADRB2 P07550 7/20 0.45
GLA P06280 1/20 0.43
CYP2C9 P11712 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL6540206 1.00 ADRB1 (0.68) ADRB1ADRB3ADRB2GLACYP2C9
SCHEMBL6541487 0.90 ADRB3 (0.81) ADRB1ADRB3ADRB2CYP2C9NAMPT
SCHEMBL6541481 0.90 ADRB1 (0.68) ADRB1ADRB3ADRB2CYP2C9NAMPT
SCHEMBL6553044 0.83 ADRB2 (0.64) ADRB1ADRB3ADRB2
SCHEMBL6553047 0.83 ADRB2 (0.64) ADRB1ADRB3ADRB2
SCHEMBL6541336 0.82 ADRB3 (0.52) ADRB1ADRB3ADRB2GLACYP2C9
SCHEMBL6541342 0.82 ADRB3 (0.52) ADRB1ADRB3ADRB2GLACYP2C9
Hydrochloric Acid SCHEMBL4472423 0.81 ADRB3 (0.98) ADRB1ADRB3ADRB2
Hydrochloric Acid SCHEMBL4472428 0.81 ADRB3 (0.98) ADRB1ADRB3ADRB2
SCHEMBL7153666 0.80 ADRB3 (0.77) ADRB1ADRB3ADRB2GLACYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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 7/4885ADRB3 58/4885ADRB2 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.