SCHEMBL6541537

SCHEMBL6541537

O=C(O)COc1ccc(S(=O)(=O)c2ccc(CN(Cc3ccccc3)C[C@@H](O)c3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.53
ADRB1 P08588 9/20 0.53
ADRB2 P07550 5/20 0.53
CYP2D6 P10635 2/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA9 Q16790 3/20 0.46
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45
GLA P06280 1/20 0.44

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
SCHEMBL6541531 1.00 ADRB3 (0.53) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6540725 0.94 ADRB3 (0.53) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6540720 0.94 ADRB3 (0.53) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6540723 0.94 ADRB3 (0.53) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6540107 0.93 ADRB3 (0.52) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6540102 0.93 ADRB3 (0.52) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6676625 0.93 ADRB3 (0.48) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6676624 0.93 ADRB3 (0.48) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6552822 0.90 ADRB3 (0.47) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6540585 0.90 ADRB3 (0.47) ADRB3ADRB1ADRB2CYP2D6ADRA1D

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 7/4885ADRB2 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.