SCHEMBL6540236

SCHEMBL6540236

COc1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.47
ADRB1 P08588 5/20 0.47
HTR1A P08908 2/20 0.47
POLB P06746 1/20 0.47
ADRB3 P13945 10/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6539222 0.92 ADRB3 (0.51) ADRB2ADRB1HTR1AADRB3KCNH2
SCHEMBL6539213 0.92 ADRB3 (0.51) ADRB2ADRB1HTR1AADRB3KCNH2
SCHEMBL6540485 0.85 ALDH1A1 (0.55) POLBL3MBTL1KCNH2ALDH1A1CYP1A2
SCHEMBL6540945 0.85 ALDH1A1 (0.55) POLBL3MBTL1KCNH2ALDH1A1CYP1A2
SCHEMBL6540926 0.83 ALDH1A1 (0.53) POLBL3MBTL1KCNH2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6541835 0.80 ADRB3 (0.64) ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL6541845 0.80 ADRB3 (0.64) ADRB2ADRB1ADRB3
SCHEMBL6540084 0.79 ADRB3 (0.53) ADRB2ADRB1HTR1AADRB3KCNH2
SCHEMBL6540079 0.79 ADRB3 (0.53) ADRB2ADRB1HTR1AADRB3KCNH2
SCHEMBL6540800 0.77 ALDH1A1 (0.61) POLBKCNH2ALDH1A1CYP1A2CYP2D6

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 ADRB2 4/4885ADRB1 7/4885HTR1A 135/4885

“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.