SCHEMBL30799781

SCHEMBL30799781

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ MMP8 P22894 3/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LAP3 P28838 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BIRC2 Q13490 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ NPY4R P50391 3/20 0.35
▸ NPY1R P25929 2/20 0.35
▸ NPY2R P49146 2/20 0.35

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
SCHEMBL30799739 0.97 NPY5R (0.38) DPP4NOD1MMP9MMP8MMP2
SCHEMBL7442182 0.88 SLC7A5 (0.41) MMP9MMP8MMP2ERAP2ERAP1
SCHEMBL7324200 0.88 SLC7A5 (0.41) MMP9MMP8MMP2ERAP2ERAP1
SCHEMBL7324204 0.88 SLC7A5 (0.41) MMP9MMP8MMP2ERAP2ERAP1
SCHEMBL8645853 0.86 ALDH1A1 (0.46) MMP2ALDH1A1LAP3MEN1LMNA
SCHEMBL2544247 0.86 ALDH1A1 (0.46) MMP2ALDH1A1LAP3MEN1LMNA
SCHEMBL23484144 0.85 NOD1 (0.46) DPP4NOD1MMP9MMP8MMP2
SCHEMBL18862286 0.85 NOD1 (0.46) DPP4NOD1MMP9MMP8MMP2
SCHEMBL9213993 0.85 NOD1 (0.46) DPP4NOD1MMP9MMP8MMP2
SCHEMBL30493692 0.84 ALDH1A1 (0.56) MMP9MMP8MMP2ERAP2ERAP1

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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 — — 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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 DPP4 552/4885NOD1 3702/4885MMP9 244/4885

“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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