SCHEMBL2332124

SCHEMBL2332124

CCOC(=O)COc1ccc(C(C)=O)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
KDM4E B2RXH2 5/20 0.52
GAA P10253 4/20 0.52
HSD17B10 Q99714 4/20 0.52
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NTSR1 P30989 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2013386 0.85 HPGD (0.56) HPGDKDM4EGAAHSD17B10NPSR1
SCHEMBL2735405 0.85 GAA (0.57) HPGDKDM4EGAAHSD17B10NPSR1
SCHEMBL18823988 0.85 KDM4E (0.57) KDM4EALDH1A1MAPTTP53MEN1
SCHEMBL2010997 0.84 HPGD (0.70) HPGDKDM4EGAAHSD17B10NPSR1
SCHEMBL16576769 0.84 KDM4E (0.56) HPGDKDM4EGAAHSD17B10NPSR1
SCHEMBL31255199 0.84 KDM4E (0.56) HPGDKDM4EGAAHSD17B10NPSR1
Hydrochloric Acid SCHEMBL214655 0.84 GAA (0.56) HPGDKDM4EGAAHSD17B10NPSR1
SCHEMBL5324361 0.83 MAOB (0.57) HPGDKDM4EGAAHSD17B10NPSR1
SCHEMBL16566924 0.82 GAA (0.55) HPGDKDM4EGAAHSD17B10NPSR1
SCHEMBL13428347 0.82 PPARD (0.47) HPGDKDM4EHSD17B10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624520-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624520-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624520-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140302553-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2014-10-09 US disclosed
US-20140302553-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2014-10-09 US disclosed
US-20140302553-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2014-10-09 US disclosed
US-8785151-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-07-22 US disclosed
US-8785151-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-07-22 US disclosed
US-8785151-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-07-22 US disclosed
EP-2356092-B1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2014-04-16 EP disclosed
US-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-10-27 US disclosed
US-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-10-27 US disclosed
US-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-10-27 US disclosed
EP-2356092-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2011-08-17 EP disclosed
WO-2010048582-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2010-04-29 WO disclosed
WO-2010048582-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2010-04-29 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-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES PTMS, PHYKPL, DNPEP HPGD 1353/4885KDM4E 754/4885GAA 2482/4885

“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.