SCHEMBL5741869

SCHEMBL5741869

COC(=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 16/20 0.62
THRA P10827 2/20 0.54
THRB P10828 2/20 0.54
RXRA P19793 2/20 0.54
PPARG P37231 2/20 0.54
ITGB3 P05106 1/20 0.54
ITGAV P06756 1/20 0.54
ABCB11 O95342 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PGR P06401 1/20 0.53
POLB P06746 1/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
AR P10275 1/20 0.53
CYP2C9 P11712 1/20 0.53
GABRA1 P14867 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL5742498 0.90 PCNA (0.53) PCNATHRATHRBRXRAPPARG
SCHEMBL12642750 0.86 PCNA (0.74) PCNATHRATHRBPOLBHIF1A
SCHEMBL1525946 0.85 THRB (0.73) PCNATHRATHRBRXRAPPARG
SCHEMBL16124459 0.84 PCNA (0.76) PCNATHRATHRBRXRAPPARG
SCHEMBL5742613 0.84 PCNA (0.74) PCNATHRATHRBRXRAPPARG
SCHEMBL5742411 0.83 TAAR5 (0.59) PCNAPPARGHSP90AB1
SCHEMBL5277954 0.83 THRB (0.60) THRATHRBPPARGHSP90AB1
SCHEMBL5743343 0.83 PCNA (0.62) PCNATHRATHRBRXRAPPARG
SCHEMBL14484569 0.82 PCNA (0.62) PCNATHRATHRBRXRAPPARG
SCHEMBL16124460 0.82 PCNA (0.76) PCNATHRATHRBRXRAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383729-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP disclosed
US-20040267015-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-12-30 US disclosed
EP-1383729-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
WO-2002081426-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 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-20040267015-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 PCNA 1541/4885THRA 3654/4885THRB 2643/4885

“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.