SCHEMBL6540398

SCHEMBL6540398

C[C@H](Cc1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1)N(C[C@@H](O)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.49
ADRB1 P08588 11/20 0.49
BACE1 P56817 2/20 0.42
ADRB2 P07550 6/20 0.41
TAS2R14 Q9NYV8 2/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6540394 1.00 ADRB3 (0.49) ADRB3ADRB1BACE1ADRB2TAS2R14
SCHEMBL6539495 0.90 ADRB3 (0.40) ADRB3ADRB1BACE1ADRB2ADRA1D
SCHEMBL6539501 0.90 ADRB3 (0.40) ADRB3ADRB1BACE1ADRB2ADRA1D
SCHEMBL6540640 0.90 ADRB3 (0.41) ADRB3ADRB1BACE1ADRB2ADRA1D
SCHEMBL6540645 0.90 ADRB3 (0.41) ADRB3ADRB1BACE1ADRB2ADRA1D
SCHEMBL6540732 0.90 ADRB3 (0.39) ADRB3ADRB1BACE1ADRB2ADRA1D
SCHEMBL6540727 0.90 ADRB3 (0.39) ADRB3ADRB1BACE1ADRB2ADRA1D
SCHEMBL6677327 0.89 ITGB1 (0.41) ADRB3ADRB1BACE1ADRB2ADRA1D
SCHEMBL6677330 0.89 ITGB1 (0.41) ADRB3ADRB1BACE1ADRB2ADRA1D
SCHEMBL6552683 0.87 ADRB3 (0.36) ADRB3ADRB1BACE1ADRB2ADRA1D

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 ADRB3 58/4885ADRB1 7/4885BACE1 3900/4885

“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.