SCHEMBL6023714

SCHEMBL6023714

COc1cccc2cc(C(=O)NNC(=O)C(CC3CCCC3)CN(O)C=O)oc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 6/20 0.62
MMP12 P39900 4/20 0.62
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CHRNA7 P36544 2/20 0.45
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
ADORA2B P29275 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4864636 0.81 BMP1 (0.52) BMP1MMP12HDAC1HDAC2CHRNA7
SCHEMBL4864759 0.80 BMP1 (0.51) BMP1MMP12HDAC1HDAC2CHRNA7
SCHEMBL4871713 0.80 BMP1 (0.51) BMP1MMP12HDAC1HDAC2CHRNA7
SCHEMBL4864683 0.76 BMP1 (0.51) BMP1MMP12HDAC1HDAC2CHRNA7
SCHEMBL4864623 0.76 BMP1 (0.56) BMP1MMP12HDAC1HDAC2CHRNA7
SCHEMBL4871677 0.75 BMP1 (0.55) BMP1MMP12HDAC1HDAC2CHRNA7
SCHEMBL4864730 0.75 BMP1 (0.55) BMP1MMP12HDAC1HDAC2CHRNA7
SCHEMBL4583761 0.75 BMP1 (0.65) BMP1MMP12CHRNA7RXFP1ALDH1A1
SCHEMBL1596233 0.75 BMP1 (0.65) BMP1MMP12CHRNA7RXFP1ALDH1A1
SCHEMBL1596230 0.75 BMP1 (0.65) BMP1MMP12CHRNA7RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363873-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-20 EP claimed
US-7019003-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US claimed
EP-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP claimed
US-20040087585-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-05-06 US claimed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP claimed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 WO claimed
EP-1363873-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-20 EP disclosed
US-7019003-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-03-28 US disclosed
EP-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20040087585-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-05-06 US disclosed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP disclosed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 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-20040087585-A1 Peptide deformylase inhibitors PDF, DPEP1, PEPD BMP1 1586/4885MMP12 1038/4885HDAC1 3083/4885

“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.