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Sugi Predict / Compounds / SCHEMBL30712787

SCHEMBL30712787

SCHEMBL30712787

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ PTH1R Q03431 4/20 0.48
▸ KDM1A O60341 2/20 0.48
▸ VIPR2 P41587 10/20 0.48
▸ VIPR1 P32241 8/20 0.48
▸ KEAP1 Q14145 1/20 0.48

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
SCHEMBL30712784 0.98 MAPK8 (0.59) MAPK8MAPK9MAPK10PTH1RKDM1A
SCHEMBL30712773 0.98 MAPK8 (0.59) MAPK8MAPK9MAPK10PTH1RKDM1A
SCHEMBL30712779 0.98 MAPK8 (0.59) MAPK8MAPK9MAPK10PTH1RKDM1A
SCHEMBL30712782 0.96 MAPK8 (0.57) MAPK8MAPK9MAPK10PTH1RVIPR2
SCHEMBL30712775 0.96 MAPK8 (0.59) MAPK8MAPK9MAPK10PTH1RKDM1A
SCHEMBL30712774 0.96 MAPK8 (0.56) MAPK8MAPK9MAPK10PTH1RKDM1A
SCHEMBL30712786 0.95 MAPK8 (0.61) MAPK8MAPK9MAPK10PTH1RKDM1A
SCHEMBL30449969 0.94 MAPK8 (0.55) MAPK8MAPK9MAPK10PTH1RKDM1A
SCHEMBL30449633 0.94 MAPK8 (0.56) MAPK8MAPK9MAPK10PTH1RKDM1A
SCHEMBL30450278 0.94 MAPK8 (0.56) MAPK8MAPK9MAPK10PTH1RKDM1A

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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