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Sugi Predict / Compounds / SCHEMBL30712781

SCHEMBL30712781

SCHEMBL30712781

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 6/20 0.54
▸ VIPR1 P32241 4/20 0.54
▸ GLP1R P43220 2/20 0.52
▸ ECE1 P42892 1/20 0.52
▸ MUS81 Q96NY9 1/20 0.52
▸ EIF4E P06730 1/20 0.51
▸ EIF4EBP1 Q13541 1/20 0.51
▸ TFPI P10646 1/20 0.51

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
SCHEMBL30450525 0.89 TFPI (0.54) EIF4EEIF4EBP1TFPI
SCHEMBL30880894 0.88 TFPI (0.53) VIPR2VIPR1GLP1RECE1MUS81
SCHEMBL30449877 0.88 IL23R (0.52) EIF4EEIF4EBP1TFPI
SCHEMBL29494169 0.87 KISS1R (0.60) VIPR2VIPR1GLP1RECE1MUS81
SCHEMBL30862330 0.87 GLP1R (0.62) VIPR2VIPR1GLP1RECE1MUS81
SCHEMBL22370186 0.86 TFPI (0.57) VIPR2VIPR1GLP1RECE1MUS81
SCHEMBL30237157 0.86 TFPI (0.57) VIPR2VIPR1GLP1RECE1MUS81
SCHEMBL28103409 0.86 VIPR1 (0.58) VIPR2VIPR1GLP1RECE1MUS81
SCHEMBL29395525 0.86 VIPR1 (0.62) VIPR2VIPR1GLP1RECE1MUS81
SCHEMBL30906529 0.86 IL23R (0.55) TFPI

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-12516104-B2 Compositions and methods for diagnosis and treatment of cancer BioNTech SE (DE) 2026-01-06 — — US claimed
US-20240002471-A1 Compositions and Methods for Diagnosis and Treatment of Cancer BioNTech SE (DE) 2024-01-04 — — US claimed
US-12516104-B2 Compositions and methods for diagnosis and treatment of cancer BioNTech SE (DE) 2026-01-06 — — US disclosed
US-20240002471-A1 Compositions and Methods for Diagnosis and Treatment of Cancer BioNTech SE (DE) 2024-01-04 — — US disclosed
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