Sugi Predict

Sugi Predict / Compounds / SCHEMBL3239797

SCHEMBL3239797

SCHEMBL3239797

CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 4/20 0.51
▸ FPR2 P25090 4/20 0.51
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PDF Q9HBH1 1/20 0.42
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CTSL P07711 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ FCER2 P06734 1/20 0.39
▸ GAA P10253 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
SCHEMBL9446555 0.86 FPR1 (0.63) FPR1FPR2MMP1
SCHEMBL9446563 0.86 FPR1 (0.63) FPR1FPR2MMP1
SCHEMBL7524845 0.85 PDF (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7078568 0.81 FPR1 (0.46) FPR1FPR2MAPTALDH1A1FNTA
SCHEMBL31675108 0.77 KMT2A (0.50) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL17951673 0.76 FPR1 (0.58) FPR1FPR2LMNAFNTAFNTB
SCHEMBL17951912 0.76 FPR1 (0.58) FPR1FPR2LMNAFNTAFNTB
SCHEMBL17951702 0.76 FPR1 (0.55) FPR1FPR2FNTAFNTB
SCHEMBL27695845 0.76 PDF (0.48) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL27695847 0.76 PDF (0.48) MEN1KMT2AMAPTLMNAALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745693-B2 Inhibitors of plant peptide deformylase for use as broad-spectrum herbicides and methods for identifying the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-06-29 — — US disclosed
US-20090203631-A1 PEPTIDE DEFORMYLASE INHIBITORS AS NOVEL ANTIBIOTICS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-13 — — US disclosed
US-7538085-B2 Macrocyclic peptide antibiotics; drug resistant, drug sensitive bacterial infections THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-26 — — US disclosed
US-7419815-B2 Inhibitors of plant peptide deformylase for use as broad-spectrum herbicides and methods for identifying the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-09-02 — — US disclosed
EP-1585751-A4 PEPTIDE DEFORMYLASE ACTIVATED PRODRUGS CELMED ONCOLOGY USA INC (CA) 2008-08-13 — — EP disclosed
US-20080064599-A1 Inhibitors of plant peptide deformylase for use as broad-spectrum herbicides and methods for identifying the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-03-13 — — US disclosed
US-20070259812-A1 Peptide deformylase inhibitors as novel antibiotics THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2007-11-08 — — US disclosed
US-7208595-B2 Peptide deformylase inhibitors as novel antibiotics THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-04-24 — — US disclosed
US-7163923-B2 Bactericides, fungicides, viricides CELMED ONCOLOGY (USA), INC. (CA) 2007-01-16 — — US disclosed
EP-1499318-A4 PEPTIDE DEFORMYLASE ACTIVATED PRODRUGS CELMED ONCOLOGY USA INC (CA) 2006-07-19 — — EP disclosed
US-20030091587-A1 Peptide deformylase activated prodrugs CELMED ONCOLOGY (USA), INC. (CA) 2003-05-15 — — US disclosed
US-20030003488-A1 Regulation of human mitochondrial deformylase BAYER AKTIENGESELLSCHAFT (DE) 2003-01-02 — — US disclosed
EP-1242581-A2 REGULATION OF HUMAN MITOCHONDRIAL DEFORMYLASE Bayer Aktiengesellschaft (DE) 2002-09-25 — — EP disclosed
US-6448058-B1 METHOD OF INHIBITING A PEPTIDE DEFORMYLASE, THE METHOD COMPRISING CONTACTING THE PEPTIDE DEFORMYLASE WITH ONE OR MORE COMPOUNDS OF THE INVENTION VERSICOR, INC. 2002-09-10 — — US disclosed
US-20020102250-A1 Recombinant S. aureus peptide deformylase PHARMACIA & UPJOHN COMPANY 2002-08-01 — — US disclosed
WO-2002006461-A2 INHIBITORS OF PLANT PEPTIDE DEFORMYLASE FOR USE AS BROAD-SPECTRUM HERBICIDES AND METHODS FOR IDENTIFYING THE SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2002-01-24 — — WO disclosed
WO-2002002763-A2 RECOMBINANT STAPHYLOCOCCUS AUREUS PEPTIDE DEFORMYLASE PHARMACIA & UPJOHN COMPANY (US) 2002-01-10 — — WO disclosed
US-6281245-B1 ADMINISTERING DEFORMYLASE INHIBITOR VERSICOR, INC. 2001-08-28 — — US disclosed
WO-2001042431-A2 REGULATION OF HUMAN MITOCHONDRIAL DEFORMYLASE BAYER AKTIENGESELLSCHAFT (DE) 2001-06-14 — — WO disclosed
WO-1999057097-A2 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1999-11-11 — — 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 (3 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-20030091587-A1 Peptide deformylase activated prodrugs DNPEP, PREP, DPEP1 FPR1 157/4885FPR2 282/4885MEN1 1842/4885
US-20090203631-A1 PEPTIDE DEFORMYLASE INHIBITORS AS NOVEL ANTIBIOTICS PDF, PADI3, PADI6 FPR1 1082/4885FPR2 1935/4885MEN1 2700/4885
US-20070259812-A1 Peptide deformylase inhibitors as novel antibiotics PDF, PADI3, PADI6 FPR1 1082/4885FPR2 1935/4885MEN1 2700/4885

“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.