SCHEMBL4532730

SCHEMBL4532730

CCc1ccc(CCN(CCCSCCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)sc23)C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.78
ADRB1 P08588 19/20 0.78
DRD2 P14416 9/20 0.78
DRD3 P35462 3/20 0.62
ADRA1D P25100 1/20 0.59

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
SCHEMBL4532726 1.00 ADRB2 (0.78) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4521511 0.94 ADRB2 (0.77) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4521505 0.94 ADRB2 (0.77) ADRB2ADRB1DRD2ADRA1D
SCHEMBL4521154 0.93 ADRB2 (0.78) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4521160 0.93 ADRB2 (0.78) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL13711701 0.91 ADRB2 (0.70) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4513332 0.88 ADRB2 (1.00) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4519478 0.87 ADRB2 (0.78) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4519481 0.87 ADRB2 (0.78) ADRB2ADRB1DRD2DRD3ADRA1D
SCHEMBL4531493 0.86 ADRB2 (0.79) ADRB2ADRB1DRD2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US claimed
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD2 224/4885

“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.