SCHEMBL6800613

SCHEMBL6800613

C[C@@H](C(=O)O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CTSK P43235 2/20 0.41
ACE P12821 1/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BTK Q06187 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL6800616 1.00 GAA (0.43) GAACTSKACENFKB1NFKB2
SCHEMBL6802644 1.00 GAA (0.43) GAACTSKACENFKB1NFKB2
SCHEMBL10792822 0.91 XIAP (0.42) GAACTSKACENFKB1NFKB2
SCHEMBL10792831 0.91 XIAP (0.42) GAACTSKACENFKB1NFKB2
SCHEMBL6564073 0.88 GAA (0.42) GAACTSKNFKB1NFKB2RELA
SCHEMBL10264443 0.88 GAA (0.46) GAACTSKNFKB1NFKB2RELA
SCHEMBL325216 0.88 GAA (0.46) GAACTSKNFKB1NFKB2RELA
SCHEMBL23297866 0.87 GAA (0.41) GAACTSKNFKB1NFKB2RELA
SCHEMBL15113466 0.87 GAA (0.41) GAACTSKNFKB1NFKB2RELA
SCHEMBL14265328 0.87 GAA (0.41) GAACTSKNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101864-A1 Chemical process ATRAZENECA AB (SE) 2004-05-27 US claimed
US-6248903-B1 Process for the preparation of methyl (2s)-2-[(3r)-3-(n-{tert-butyloxycarbonyl 9-amino)-2-oxopyrrolidin-1-yl]propionate ZENECA LIMITED (GB) 2001-06-19 US claimed
EP-1076645-A1 PROCESS FOR THE PREPARATION OF METHYL(2S)-2-[(3R)-3-(N-[TERT-BUTYLOXYCARBONYL]-AMINO) -2-OXOPYRR OLIDIN-1-YL]PROPIONATE AstraZeneca AB (SE) 2001-02-21 EP claimed
WO-1999055669-A1 PROCESS FOR THE PREPARATION OF METHYL(2S)-2-[(3R)-3-(N-[TERT-BUTYLOXYCARBONYL]-AMINO)-2-OXOPYRROLIDIN-1-YL]PROPIONATE ASTRAZENECA AB (SE) 1999-11-04 WO claimed
US-20040101864-A1 Chemical process ATRAZENECA AB (SE) 2004-05-27 US disclosed
US-20020187934-A1 Peptide derivatives SYNGENTA LIMITED (GB) 2002-12-12 US disclosed
US-20020103335-A1 PEPTIDE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2002-08-01 US disclosed
US-6355617-B1 PEPTIDES, HYDROPHOBIC RESIDUES, AMINO ACIDS AND SEQUENCE SYNGENTA LIMITED (GB) 2002-03-12 US disclosed
US-6248903-B1 Process for the preparation of methyl (2s)-2-[(3r)-3-(n-{tert-butyloxycarbonyl 9-amino)-2-oxopyrrolidin-1-yl]propionate ZENECA LIMITED (GB) 2001-06-19 US disclosed
US-6248903-B1 Process for the preparation of methyl (2s)-2-[(3r)-3-(n-{tert-butyloxycarbonyl 9-amino)-2-oxopyrrolidin-1-yl]propionate ZENECA LIMITED (GB) 2001-06-19 US disclosed
CN-1298387-A Process for the preparation of methyl (2S)-2-[(3R)-3-CN-[tert-butyloxycarbonyl]-amino)-2-oxopyrrolidin-1-yL] propionate ASTRA ZENECA LTD (SE) 2001-06-06 CN disclosed
EP-1076645-A1 PROCESS FOR THE PREPARATION OF METHYL(2S)-2-[(3R)-3-(N-[TERT-BUTYLOXYCARBONYL]-AMINO) -2-OXOPYRR OLIDIN-1-YL]PROPIONATE AstraZeneca AB (SE) 2001-02-21 EP disclosed
US-6087336-A ANTIINFLAMMATORY AGENT TREATING RHEUMATOID ARTHRITIS ZENECA LIMITED (GB) 2000-07-11 US disclosed
WO-1999055669-A1 PROCESS FOR THE PREPARATION OF METHYL(2S)-2-[(3R)-3-(N-[TERT-BUTYLOXYCARBONYL]-AMINO)-2-OXOPYRROLIDIN-1-YL]PROPIONATE ASTRAZENECA AB (SE) 1999-11-04 WO disclosed
EP-0914333-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-05-12 EP disclosed
EP-0882066-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-12-09 EP disclosed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 WO disclosed
WO-1997031023-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 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-20020103335-A1 PEPTIDE DERIVATIVES HLA-DRB1, MICA, TAP1 GAA 3721/4885CTSK 3444/4885ACE 708/4885
US-20020187934-A1 Peptide derivatives HLA-DRB1, MICA, TAP1 GAA 4428/4885CTSK 1972/4885ACE 2513/4885
US-20040101864-A1 Chemical process ASS1, SRM, SRMS GAA 2577/4885CTSK 4757/4885ACE 357/4885

“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.