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Sugi Predict / Compounds / SCHEMBL30712780

SCHEMBL30712780

SCHEMBL30712780

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)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)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.58
▸ NPY4R P50391 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY1R P25929 7/20 0.58
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ EPHA2 P29317 2/20 0.57
▸ NMUR2 Q9GZQ4 2/20 0.57
▸ NMUR1 Q9HB89 2/20 0.57
▸ EP300 Q09472 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ CXCR4 P61073 3/20 0.55

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
SCHEMBL32676360 0.96 EP300 (0.59) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30963695 0.95 MAPK8 (0.58) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30712788 0.93 EP300 (0.56) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30525422 0.90 EPHA2 (0.57) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL30753759 0.89 NMUR2 (0.62) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30883213 0.89 NMUR2 (0.64) NPY2RNPY4RNPY5RNPY1RNMUR2
SCHEMBL31651397 0.88 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30618029 0.88 CALCR (0.66) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30658265 0.87 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31012332 0.87 TFPI (0.63) NPY2RNPY4RNPY5RNPY1RNMUR2

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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