SCHEMBL2897939

SCHEMBL2897939

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 7/20 0.47
TPMT P51580 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TTR P02766 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL2897295 0.91 TPMT (0.51) VCAM1MAPTKDM4EALDH1A1TPMT
SCHEMBL8462586 0.86 TPMT (0.59) VCAM1MAPTKDM4EALDH1A1TPMT
SCHEMBL30740961 0.86 TPMT (0.59) VCAM1MAPTKDM4EALDH1A1TPMT
SCHEMBL23077387 0.84 TTR (0.51) VCAM1MAPTKDM4EALDH1A1TPMT
SCHEMBL2896738 0.84 MAPT (0.51) VCAM1MAPTKDM4EALDH1A1TPMT
SCHEMBL750055 0.84 TTR (0.61) VCAM1MAPTKDM4ETPMTHPGD
SCHEMBL22491408 0.83 VCAM1 (0.49) VCAM1MAPTKDM4EALDH1A1TPMT
SCHEMBL1458078 0.83 VCAM1 (0.49) VCAM1MAPTKDM4EALDH1A1TPMT
SCHEMBL18031418 0.83 ALDH1A1 (0.49) VCAM1MAPTKDM4EALDH1A1TPMT
SCHEMBL2897814 0.83 VCAM1 (0.51) VCAM1MAPTKDM4EALDH1A1TPMT

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 VCAM1 3022/4885MAPT 4643/4885KDM4E 206/4885

“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.