SCHEMBL30437554

SCHEMBL30437554

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(C)(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 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 9/20 0.37
▸ PSEN2 P49810 9/20 0.37
▸ APH1B Q8WW43 9/20 0.37
▸ NCSTN Q92542 9/20 0.37
▸ APH1A Q96BI3 9/20 0.37
▸ PSENEN Q9NZ42 9/20 0.37
▸ GLP1R P43220 2/20 0.36
▸ SCTR P47872 1/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ OPRD1 P41143 4/20 0.36
▸ OPRK1 P41145 4/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ REN P00797 2/20 0.35
▸ CTSD P07339 1/20 0.34

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
SCHEMBL30524338 0.98 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30343346 0.96 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30437059 0.94 REN (0.39) OPRD1CASP3RENCTSD
SCHEMBL30524340 0.94 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30250211 0.93 OPRD1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30438040 0.92 GLP1R (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL34461945 0.92 REN (0.40) OPRD1CASP3RENCTSD
SCHEMBL31002038 0.90 OPRM1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30384193 0.90 ACE (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL34461946 0.90 REN (0.39) OPRD1REN

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 PSEN1 339/4885PSEN2 447/4885APH1B 210/4885

“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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