SCHEMBL5300903

SCHEMBL5300903

COC(=O)CCSc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
POLB P06746 1/20 0.58
GSTP1 P09211 1/20 0.58
GSTM2 P28161 1/20 0.58
ALDH1A1 P00352 6/20 0.57
MAPT P10636 3/20 0.56
VCAM1 P19320 1/20 0.51
APEX1 P27695 1/20 0.49
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL8418979 0.93 HPGD (0.56) HPGDPOLBGSTP1GSTM2ALDH1A1
SCHEMBL22226687 0.90 GSTP1 (0.58) HPGDPOLBGSTP1GSTM2ALDH1A1
SCHEMBL8102330 0.87 HPGD (0.60) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL14476018 0.87 HPGD (0.67) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL1995617 0.86 HPGD (0.59) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL23768982 0.84 HPGD (0.63) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL21291391 0.83 HPGD (0.61) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL5253794 0.81 GSTP1 (0.57) HPGDGSTP1GSTM2ALDH1A1MAPT
SCHEMBL5917877 0.81 HPGD (0.66) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL1390827 0.81 ALDH1A1 (0.46) HPGDPOLBGSTP1GSTM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG HPGD 632/4885POLB 301/4885GSTP1 785/4885

“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.