SCHEMBL1798529

SCHEMBL1798529

CCC(COC)N(Cc1cccc(CCO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.39
CYP4A11 Q02928 4/20 0.39
GLS O94925 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
BACE1 P56817 2/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.32
SYK P43405 1/20 0.32
SLC7A5 Q01650 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL1802422 0.89 CYP4F2 (0.38) CYP4F2CYP4A11GLSNR1H2NR1H3
SCHEMBL1800183 0.87 SLC7A5 (0.34) GLSBACE1HDAC1HDAC3HDAC2
SCHEMBL1803365 0.87 SLC7A5 (0.34) GLSBACE1HDAC1HDAC3HDAC2
SCHEMBL1803711 0.87 CYP4F2 (0.40) CYP4F2CYP4A11GLSNR1H2NR1H3
SCHEMBL1802570 0.87 CYP4F2 (0.40) CYP4F2CYP4A11GLSNR1H2NR1H3
SCHEMBL1802802 0.85 CYP4F2 (0.39) CYP4F2CYP4A11GLSNR1H2NR1H3
SCHEMBL1802799 0.85 CYP4F2 (0.39) CYP4F2CYP4A11GLSNR1H2NR1H3
SCHEMBL1803069 0.83 CYP4F2 (0.42) CYP4F2CYP4A11GLSNR1H2NR1H3
SCHEMBL1799283 0.82 CYP4F2 (0.38) CYP4F2CYP4A11BACE1L3MBTL1SLC7A5
SCHEMBL1800114 0.77 CYP4F2 (0.42) CYP4F2CYP4A11GLSNR1H2NR1H3

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
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 CYP4F2 1476/4885CYP4A11 459/4885GLS 4102/4885

“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.