SCHEMBL1803587

SCHEMBL1803587

NC(O)Cc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.51
ADRB1 P08588 15/20 0.51
DRD3 P35462 2/20 0.43

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
Hydrochloric Acid SCHEMBL1275817 0.99 ADRB2 (0.50) ADRB2ADRB1DRD3
SCHEMBL12119358 0.80 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL4740762 0.79 ADRB2 (0.52) ADRB2ADRB1DRD3
SCHEMBL4555603 0.78 ADRB2 (0.49) ADRB2ADRB1DRD3
SCHEMBL1803738 0.78 ADRB2 (0.34) ADRB2ADRB1DRD3
SCHEMBL4715369 0.78 ADRB2 (0.46) ADRB2ADRB1DRD3
Bromide SCHEMBL1683003 0.78 ADRB2 (0.51) ADRB2ADRB1
Hydrochloric Acid SCHEMBL1179939 0.78 ADRB2 (0.51) ADRB2ADRB1
Hydrochloric Acid SCHEMBL4558292 0.77 ADRB2 (0.45) ADRB2ADRB1DRD3
SCHEMBL14291843 0.76 ADRB2 (0.52) ADRB2ADRB1DRD3

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-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD3 576/4885

“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.