SCHEMBL30798320

SCHEMBL30798320

CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.43
▸ XIAP P98170 1/20 0.39
▸ MLX Q9UH92 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ DPP4 P27487 6/20 0.38
▸ NTSR2 O95665 2/20 0.38
▸ NTSR1 P30989 2/20 0.38
▸ SORT1 Q99523 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ NPY4R P50391 3/20 0.36
▸ NPY1R P25929 2/20 0.36
▸ NPY2R P49146 2/20 0.36
▸ NPY5R Q15761 2/20 0.36
▸ ELANE P08246 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36

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
SCHEMBL30173928 0.91 EPHA2 (0.45) EPHA2PLK1NTSR2NTSR1SORT1
SCHEMBL32679557 0.86 NTSR2 (0.45) XIAPNTSR2NTSR1SORT1
SCHEMBL30173956 0.85 APLNR (0.43) EPHA2PLK1
SCHEMBL30173901 0.85 ACE (0.44) EPHA2NPY4RNPY1RNPY2RNPY5R
SCHEMBL30443975 0.85 ACE (0.45) EPHA2PLK1NPY4RNPY1RNPY2R
SCHEMBL30199162 0.85 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL24452714 0.85 KMT2A (0.44) XIAPNTSR2NTSR1SORT1
Dusquetide SCHEMBL16671001 0.84 NTSR1 (0.45) XIAPPLK1NTSR2NTSR1SORT1
Dusquetide SCHEMBL16677021 0.84 NTSR1 (0.45) XIAPPLK1NTSR2NTSR1SORT1
SCHEMBL30745227 0.84 NTSR2 (0.49) NTSR2NTSR1SORT1SLC6A2

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-11896704-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes LUBRIZOL ADVANCED MATERIALS, INC. (US) 2024-02-13 — — 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-11896704-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, MTX1, MTX2 EPHA2 1842/4885XIAP 2584/4885MLX 140/4885

“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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