SCHEMBL2332483

SCHEMBL2332483

Nc1cc(OCCCC(=O)O)ccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.47
PDE3A Q14432 6/20 0.47
P2RY12 Q9H244 4/20 0.47
PDE2A O00408 4/20 0.47
PPARA Q07869 2/20 0.44
ALB P02768 1/20 0.44
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 3/20 0.43
PDK2 Q15119 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
SERPINE1 P05121 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
SCHEMBL2325134 0.99 PDE3B (0.46) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL12264236 0.90 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2APDK2
SCHEMBL16473051 0.87 PDE3B (0.49) PDE3BPDE3AP2RY12PDE2A
Lithium Ion SCHEMBL2325126 0.86 CYSLTR2 (0.40) PDE3BPDE3AP2RY12PDE2ACYSLTR2
SCHEMBL16473164 0.84 PDE3B (0.38) PDE3BPDE3AP2RY12PDE2APDK2
SCHEMBL19358277 0.84 TRIM24 (0.53) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL12238250 0.83 PDE3B (0.52) PDE3BPDE3AP2RY12PDK2
SCHEMBL12238283 0.83 PTGDR2 (0.51) PDE3BPDE3AP2RY12PDE2AFFAR1
SCHEMBL20982578 0.83 FFAR4 (0.48) PDE3BPDE3AP2RY12PDE2APPARA
SCHEMBL12238287 0.82 BRD4 (0.52) PDE3BPDE3AP2RY12PDK2CYSLTR2

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-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
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 PDE3B 4437/4885PDE3A 4138/4885P2RY12 4024/4885

“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.