SCHEMBL3589758

SCHEMBL3589758

NC(=O)OC(C=O)CCc1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.43
ABCB11 O95342 2/20 0.40
ADRB1 P08588 2/20 0.40
DRD2 P14416 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL4788200 0.76 ADRB2 (0.47) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL4740762 0.74 ADRB2 (0.52) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL3589761 0.74 ADRB2 (0.45) ADRB2ABCB11ADRB1DRD2PDE4A
Acetic Acid SCHEMBL4742751 0.73 ADRB2 (0.47) ADRB2ABCB11ADRB1DRD2PDE4A
Bromide SCHEMBL1683003 0.73 ADRB2 (0.51) ADRB2ABCB11ADRB1DRD2PDE4A
Hydrochloric Acid SCHEMBL1179939 0.73 ADRB2 (0.51) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL3685863 0.72 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL1683034 0.71 ADRB2 (0.59) ADRB2ABCB11ADRB1DRD2PDE4A
SCHEMBL14291843 0.71 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL2815909 0.70 ADRB2 (0.50) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885ABCB11 487/4885ADRB1 29/4885

“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.