SCHEMBL4013146

SCHEMBL4013146

CC(C)(C)OC(=O)ON(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 17/20 0.48
LIG1 P18858 1/20 0.42
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
RXRA P19793 2/20 0.38
PPARG P37231 2/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CYP2C9 P11712 1/20 0.38
GABRA1 P14867 1/20 0.38
HPGD P15428 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL4002336 0.91 PCNA (0.51) PCNALIG1THRATHRBRXRA
SCHEMBL15659860 0.74 L3MBTL1 (0.47) SMN1; SMN2
SCHEMBL13886702 0.72 PCNA (0.60) PCNALIG1THRATHRBPOLB
SCHEMBL19448804 0.72 L3MBTL1 (0.48)
SCHEMBL18763338 0.71 HDAC6 (0.40) PPARGHPGDSMN1; SMN2
SCHEMBL18763349 0.70 RIPK1 (0.43) HPGD
SCHEMBL18763347 0.70 MT-CO2 (0.41) PPARGLMNACYP1A2CYP2C9SMN1; SMN2
SCHEMBL5716073 0.70 HDAC6 (0.39) RXRASMN1; SMN2
SCHEMBL16124480 0.70 PCNA (0.63) PCNALIG1
SCHEMBL4961804 0.69 PCNA (0.56) PCNALIG1THRATHRB

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 3 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
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

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 2800/4885THRA 3654/4885

“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.