SCHEMBL2327477

SCHEMBL2327477

CC(=O)c1ccc(CCC(=O)O)cc1N.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.46
KEAP1 Q14145 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 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
SCHEMBL12238291 0.98 FFAR1 (0.47) FFAR1KEAP1CA1CA2HSD17B10
SCHEMBL2325359 0.87 ALDH1A1 (0.49) FFAR1KEAP1CA1CA2HSD17B10
SCHEMBL12261009 0.85 CAPN1 (0.41) FFAR1HSD17B10PLA2G10PLA2G2ASLCO1B1
SCHEMBL12238289 0.85 ALDH1A1 (0.50) FFAR1KEAP1CA1CA2HSD17B10
SCHEMBL8827540 0.85 ALDH1A1 (0.49) FFAR1KEAP1CA1CA2HSD17B10
SCHEMBL9345926 0.83 FFAR1 (0.50) FFAR1KEAP1CA1CA2HSD17B10
SCHEMBL16473153 0.83 MAOA (0.35) FFAR1HSD17B10PLA2G10PLA2G2ASLCO1B1
Lithium Ion SCHEMBL2327472 0.83 MAOA (0.35) FFAR1HSD17B10
SCHEMBL12238253 0.81 PCNA (0.39) FFAR1HSD17B10
SCHEMBL1002974 0.79 FFAR1 (0.53) FFAR1KEAP1CA1CA2FFAR4

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
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
CN-102264697-B Biosynthetically generated pyrroline-carboxy-lysine and site-specific protein modification by chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues IRM LLC (BM) 2015-09-09 CN 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
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
CN-102264697-A Biosynthetically generated pyrroline-carboxy-lysine and site-specific protein modification by chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues 2011-11-30 CN 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

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 FFAR1 4544/4885KEAP1 1368/4885CA1 2272/4885

“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.