SCHEMBL6541603

SCHEMBL6541603

C[C@H](Oc1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.44
ADRB2 P07550 3/20 0.44
KCNH2 Q12809 1/20 0.41
ADRB1 P08588 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL6541224 1.00 ADRB3 (0.44) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6541610 1.00 ADRB3 (0.44) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6541231 1.00 ADRB3 (0.44) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6552642 0.88 KCNH2 (0.42) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6553145 0.88 KCNH2 (0.42) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6552641 0.87 KCNH2 (0.42) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6540841 0.87 KCNH2 (0.47) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6540725 0.86 ADRB3 (0.53) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6540720 0.86 ADRB3 (0.53) ADRB3ADRB2KCNH2ADRB1ALDH1A1
SCHEMBL6540723 0.86 ADRB3 (0.53) ADRB3ADRB2KCNH2ADRB1ALDH1A1

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 58/4885ADRB2 4/4885KCNH2 211/4885

“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.