SCHEMBL19505993

SCHEMBL19505993

COC(C)(C)CCOC(C)(C)CCNC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)OCCC(C)(C)OC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PLK1 P53350 2/20 0.32
▸ GLO1 Q04760 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CCKBR P32239 1/20 0.30
▸ GLP1R P43220 3/20 0.30
▸ LTB4R Q15722 1/20 0.30

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
SCHEMBL20998090 0.91 CAPN1 (0.33) CAPN1BCHEACHEPLK1GLO1
SCHEMBL19450704 0.88 CAPN1 (0.37) CAPN1BCHEACHEPLK1GLO1
SCHEMBL22373639 0.84 CAPN1 (0.38) CAPN1BCHEACHEPLK1GLO1
SCHEMBL25977092 0.77 TSHR (0.40) CAPN1BCHEACHECCKBRGLP1R
SCHEMBL19506154 0.76 CTSS (0.37) CAPN1PLK1GLO1NOD1GLP1R
SCHEMBL30019872 0.76 NOD1 (0.47) CAPN1NOD1GLP1R
SCHEMBL24235778 0.76 GLP1R (0.43) CAPN1NOD1GLP1R
SCHEMBL30019912 0.75 NOD1 (0.47) CAPN1NOD1GLP1R
SCHEMBL27269494 0.75 GNAI3 (0.48) NOD1CA2
SCHEMBL25977123 0.75 CAPN1 (0.43) CAPN1BCHEACHECCKBRGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10835616-B2 Process for the conjugation of a peptide or protein with a reagent comprising a leaving group including a portion of PEG POLYTHERICS LIMITED (GB) 2020-11-17 — — US disclosed
US-20170304461-A1 Process For The Conjugation Of A Peptide Or Protein With A Reagent Comprising A Leaving Group Including A Portion Of PEG POLYTHERICS LIMITED (GB) 2017-10-26 — — 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 (2 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-20170304461-A1 Process For The Conjugation Of A Peptide Or Protein With A Reagent Comprising A Leaving Group Including A Portion Of PEG LNPEP, ANPEP, NGLY1 CAPN1 914/4885BCHE 574/4885ACHE 3920/4885
US-10835616-B2 Process for the conjugation of a peptide or protein with a reagent comprising a leaving group including a portion of PEG LNPEP, ANPEP, NGLY1 CAPN1 914/4885BCHE 574/4885ACHE 3920/4885

“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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