SCHEMBL30437059

SCHEMBL30437059

CC(C)[C@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.39
▸ CASP3 P42574 1/20 0.36
▸ BACE1 P56817 3/20 0.36
▸ CCKBR P32239 4/20 0.36
▸ OPRD1 P41143 4/20 0.36
▸ CCKAR P32238 3/20 0.36
▸ CTSD P07339 1/20 0.35

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
SCHEMBL34461945 0.97 REN (0.40) RENCASP3BACE1CCKBROPRD1
SCHEMBL34461946 0.95 REN (0.39) RENCCKBROPRD1CCKAR
SCHEMBL30437554 0.94 PSEN1 (0.37) RENCASP3OPRD1CTSD
SCHEMBL31084236 0.92 BACE1 (0.38) BACE1CCKBROPRD1CCKARCTSD
SCHEMBL30437952 0.92 REN (0.40) RENBACE1CCKBROPRD1CCKAR
SCHEMBL30524338 0.92 PSEN1 (0.38) RENCASP3OPRD1CTSD
SCHEMBL30175807 0.91 REN (0.39) RENBACE1OPRD1
SCHEMBL31614440 0.90 REN (0.41) RENCCKBROPRD1CCKAR
SCHEMBL30343346 0.90 PSEN1 (0.36) RENOPRD1
SCHEMBL30524340 0.87 PSEN1 (0.37) RENOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230220036-A1 IMPROVED PROCESS FOR THE PREPARATION OF SEMAGLUTIDE NEULAND LABORATORIES LTD (IN) 2023-07-13 — — 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-20230220036-A1 IMPROVED PROCESS FOR THE PREPARATION OF SEMAGLUTIDE GCG, OGDH, ABAT REN 1559/4885CASP3 929/4885BACE1 323/4885

“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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