SCHEMBL3903096

SCHEMBL3903096

NC(=O)C(Cc1ccccc1)CN(O)C=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
EPHX1 P07099 1/20 0.46
CPA3 P15088 3/20 0.45
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
CPA1 P15085 2/20 0.44
FOLH1 Q04609 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
BMP1 P13497 1/20 0.43
MMP12 P39900 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3900013 0.85 HDAC1 (0.44) BMP1
SCHEMBL5052372 0.79 CYP1A2 (0.68) CYP1A2EPHX1CPA3SLC1A3SLC1A2
SCHEMBL3699986 0.79 EPHX1 (0.53) EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL3771287 0.79 EPHX1 (0.53) EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL7386471 0.79 MME (0.62) BMP1MMP12ALDH1A1
SCHEMBL7386469 0.79 MME (0.62) BMP1MMP12ALDH1A1
SCHEMBL7386474 0.79 MME (0.62) BMP1MMP12ALDH1A1
SCHEMBL3895767 0.79 PNMT (0.42)
SCHEMBL3899341 0.78 ADRA2A (0.38)
SCHEMBL5091424 0.77 MME (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615629-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP claimed
US-7375120-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-05-20 US claimed
US-20060229341-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2006-10-12 US claimed
EP-1615629-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP disclosed
US-7375120-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-05-20 US disclosed
EP-1615629-A4 PEPTIDE DEFORMYLASE INHIBITORS CHRISTENSEN SIEGFRIED B IV (US) 2007-02-28 EP disclosed
US-20060229341-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2006-10-12 US disclosed
EP-1615629-A1 PEPTIDE DEFORMYLASE INHIBITORS Christensen, Siegfried B. IV (US) 2006-01-18 EP disclosed
WO-2004098584-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-18 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-20060229341-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 CYP1A2 4681/4885EPHX1 3547/4885CPA3 1303/4885

“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.