SCHEMBL4004003

SCHEMBL4004003

ONCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PCNA P12004 14/20 0.58
LIG1 P18858 1/20 0.57
TAAR5 O14804 1/20 0.46
TAAR1 Q96RJ0 1/20 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
SCHEMBL4005004 0.81 PCNA (0.66) PCNALIG1TAAR5TAAR1
SCHEMBL16124480 0.81 PCNA (0.63) PCNALIG1TAAR5TAAR1
SCHEMBL14485265 0.80 PCNA (0.64) PCNALIG1TAAR5TAAR1
SCHEMBL5743343 0.79 PCNA (0.62) PCNALIG1
SCHEMBL13886598 0.77 TAAR5 (0.68) PCNALIG1TAAR5TAAR1
SCHEMBL22382794 0.77 PCNA (0.67) PCNALIG1TAAR5TAAR1
SCHEMBL14264010 0.77 PCNA (0.67) PCNALIG1TAAR5TAAR1
SCHEMBL14230070 0.77 PCNA (0.62) PCNALIG1
SCHEMBL21500873 0.77 PCNA (0.57) PCNALIG1
SCHEMBL5742613 0.76 PCNA (0.74) PCNALIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383736-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-06-17 EP disclosed
EP-1383736-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP disclosed
US-6967220-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-11-22 US disclosed
US-20040106795-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-06-03 US disclosed
EP-1383736-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
WO-2003002522-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-09 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-20040106795-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 PCNA 1541/4885LIG1 2800/4885TAAR5 4186/4885

“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.