SCHEMBL1640595

SCHEMBL1640595

COC(=O)c1c(O)cc(=O)[nH]c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
ACHE P22303 1/20 0.49
CYP1A2 P05177 1/20 0.49
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA7 P43166 5/20 0.47
CA9 Q16790 5/20 0.47
CA14 Q9ULX7 5/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.41
XDH P47989 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41

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
SCHEMBL27980095 0.84 CYP3A4 (0.51) CYP3A4ACHECYP1A2CA12CA1
SCHEMBL143838 0.82 CYP3A4 (0.46) CYP3A4ACHECYP1A2CA12CA1
SCHEMBL1328619 0.78 CYP3A4 (0.42) CYP3A4ACHECYP1A2CA12CA1
SCHEMBL1658709 0.76 ALDH1A1 (0.42) CYP3A4ACHECA12CA1CA2
SCHEMBL13743871 0.73 KDM4E (0.71) CYP3A4ACHECYP1A2CA12CA1
SCHEMBL725269 0.71 CYP3A4 (0.77) CYP3A4ACHECA12CA1CA2
SCHEMBL1636307 0.70 CYP3A4 (0.62) CYP3A4ACHECA12CA1CA2
SCHEMBL30550305 0.69 FFAR1 (0.75) CYP3A4ACHECA12CA1CA2
SCHEMBL6493747 0.68 CYP3A4 (0.79) CYP3A4ACHECA12CA1CA2
SCHEMBL6492470 0.68 CA12 (0.59) CYP3A4ACHECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2306828-A1 PROLYL HYDROXYLASE INHIBITORS Glaxosmithkline LLC (US) 2011-04-13 EP disclosed
WO-2009158315-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110098324-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN2, EGLN3 CYP3A4 1174/4885ACHE 4880/4885CYP1A2 361/4885

“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.