SCHEMBL12262227

SCHEMBL12262227

CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.52
▸ HTRA2 O43464 6/20 0.50
▸ HTRA1 Q92743 6/20 0.50
▸ FOLH1 Q04609 2/20 0.49
▸ ESR1 P03372 1/20 0.47
▸ DNASE1L3 Q13609 1/20 0.47
▸ PRMT1 Q99873 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL12675193 0.85 ALB (0.58) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL23291875 0.84 FOLH1 (0.54) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL13286956 0.84 ALB (0.60) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL25698357 0.83 ALB (0.57) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL18211595 0.83 ALB (0.59) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL24943566 0.83 ALB (0.61) ALBHTRA2HTRA1FOLH1DNASE1L3
SCHEMBL18162919 0.83 ALB (0.59) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL24943218 0.83 ALB (0.59) ALBHTRA2HTRA1FOLH1DNASE1L3
SCHEMBL13286952 0.83 USP2 (0.57) ALBHTRA2HTRA1FOLH1ESR1
SCHEMBL12040501 0.83 ALB (0.57) ALBHTRA2HTRA1FOLH1DNASE1L3

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 4 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-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-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

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 ALB 1641/4885HTRA2 4605/4885HTRA1 4694/4885

“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.

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