SCHEMBL1797802

SCHEMBL1797802

COc1ccccc1CN(Cc1cccc(CCO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.48
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
ACHE P22303 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CETP P11597 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HPGD P15428 1/20 0.39
BCHE P06276 1/20 0.39
TSPO P30536 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL1799798 0.92 ACHE (0.43) PTGESITGA4ITGB7ACHEMEN1
SCHEMBL1801270 0.91 HDAC1 (0.43) PTGESITGA4ITGB7ACHEMEN1
SCHEMBL1800052 0.90 HDAC3 (0.46) PTGESITGA4ITGB7ACHEMEN1
SCHEMBL1802321 0.89 HDAC1 (0.39) PTGESITGA4ITGB7MEN1KMT2A
SCHEMBL1798300 0.89 HDAC1 (0.42) PTGESHDAC3HDAC1HDAC2NCOR2
SCHEMBL1799921 0.87 ITGA4 (0.43) ITGA4ITGB7ACHEMEN1KMT2A
SCHEMBL1801093 0.86 HDAC1 (0.43) PTGESHDAC3HDAC1HDAC2NCOR2
SCHEMBL4715342 0.86 PTGES (0.53) PTGESACHEMEN1KMT2ACYP4F2
SCHEMBL1801123 0.85 HDAC1 (0.42) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL1796402 0.85 ALDH1A1 (0.44) MEN1KMT2AHDAC3HDAC1HDAC2

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 5 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
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 PTGES 1039/4885ITGA4 1460/4885ITGB7 1614/4885

“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.