SCHEMBL3549755

SCHEMBL3549755

CC(C)(C)OC(=O)c1cc(Cl)c(N)c(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
NR3C2 P08235 1/20 0.35
GAA P10253 6/20 0.35
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
GLA P06280 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NQO2 P16083 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CA14 Q9ULX7 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL9327846 0.86 CA12 (0.36) CA12CA1CA2CA9NR3C2
SCHEMBL23496738 0.83 GAA (0.51) GAAALDH1A1KDM4EHPGDGLA
SCHEMBL9821036 0.77 GAA (0.33) CA1CA2CA9GAAALDH1A1
SCHEMBL3545080 0.77 GAA (0.45) CA12CA1CA2CA9NR3C2
SCHEMBL14993979 0.77 ABL1 (0.37) CA12CA1CA2CA9NR3C2
SCHEMBL27754447 0.75 CYP3A4 (0.44) CA12CA1CA2CA9GAA
SCHEMBL366207 0.74 POLB (0.39) CA12CA1CA2CA9NR3C2
SCHEMBL10198378 0.74 POLB (0.46) CA12CA1CA2CA9NR3C2
SCHEMBL9327893 0.74 CA12 (0.38) CA12CA1CA2CA9GAA
SCHEMBL11389659 0.73 CA1 (0.50) CA12CA1CA2CA9GAA

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 CA12 2391/4885CA1 4191/4885CA2 4162/4885

“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.