SCHEMBL2814686

SCHEMBL2814686

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

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.47
ADRB1 P08588 2/20 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
SCHEMBL1683028 0.86 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL2818621 0.81 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL2815878 0.81 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL13225819 0.80 ADRB2 (0.36) ADRB2ADRB1
SCHEMBL2213239 0.78 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL3178715 0.78 ADRB2 (0.51) ADRB2ADRB1
SCHEMBL2214988 0.77 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL2816287 0.76 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL3595006 0.76 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL2213182 0.76 ADRB2 (0.47) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249200-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100144606-A1 COMBINATION 408 ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7700782-B2 Compounds 569 ASTRAZENECA AB (SE) 2010-04-20 US disclosed
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2010-01-28 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 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 (5 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-20100144606-A1 COMBINATION 408 NR3C2, PTGER2, LTB4R2 ADRB2 51/4885ADRB1 37/4885
US-20080207698-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 ADRB2 1549/4885ADRB1 788/4885
US-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885ADRB1 29/4885
US-20100022491-A1 4-HYDROXY-2-OXO-2,3-DIHYDRO-1,3-BENZOTHIAZOL-7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885
US-20100249200-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 ADRB2 1549/4885ADRB1 788/4885

“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.