SCHEMBL2900581

SCHEMBL2900581

COC(=O)c1cc(O)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.55
KDM4E B2RXH2 2/20 0.53
XDH P47989 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FUT7 Q11130 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
VCAM1 P19320 1/20 0.51
MAPT P10636 1/20 0.50
CNR2 P34972 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CA12 O43570 2/20 0.46

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
SCHEMBL989006 0.90 VCAM1 (0.56) TPMTKDM4ELMNAPOLBL3MBTL1
SCHEMBL31440703 0.85 KDM4E (0.65) TPMTKDM4EXDHLMNAPOLB
SCHEMBL643856 0.85 KDM4E (0.65) TPMTKDM4EXDHLMNAPOLB
SCHEMBL31161317 0.85 VCAM1 (0.52) TPMTKDM4ELMNAPOLBVCAM1
SCHEMBL15432231 0.85 VCAM1 (0.52) TPMTKDM4ELMNAPOLBVCAM1
SCHEMBL5924211 0.83 ESR1 (0.57) TPMTKDM4EXDHLMNAPOLB
SCHEMBL2671409 0.83 VCAM1 (0.50) TPMTKDM4ELMNAPOLBGAA
SCHEMBL12774975 0.83 VCAM1 (0.50) TPMTKDM4ELMNAPOLBGAA
SCHEMBL20839509 0.83 TPMT (0.54) TPMTKDM4EXDHLMNAPOLB
SCHEMBL2671510 0.83 VCAM1 (0.50) TPMTKDM4EXDHLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 TPMT 234/4885KDM4E 206/4885XDH 66/4885

“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.