SCHEMBL30799828

SCHEMBL30799828

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 6/20 0.40
▸ GRB2 P62993 1/20 0.37
▸ CTSD P07339 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ HSPA5 P11021 1/20 0.34
▸ HSPA2 P54652 1/20 0.34
▸ REN P00797 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ACE P12821 2/20 0.31
▸ AKR1B1 P15121 1/20 0.30

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
SCHEMBL14940740 0.91 ENPEP (0.40) ENPEPCTSDL3MBTL1AKR1B1
SCHEMBL10982903 0.91 ENPEP (0.40) ENPEPCTSDL3MBTL1AKR1B1
SCHEMBL10982907 0.91 ENPEP (0.40) ENPEPCTSDL3MBTL1AKR1B1
SCHEMBL31643061 0.86 CTSD (0.42) ENPEPCTSDAKR1B1
SCHEMBL30799829 0.84 GHSR (0.37) —
SCHEMBL24270549 0.82 SMN1; SMN2 (0.33) —
SCHEMBL14065661 0.82 SMN1; SMN2 (0.33) —
SCHEMBL8437180 0.81 MME (0.37) AKR1B1
SCHEMBL8437182 0.81 MME (0.37) AKR1B1
SCHEMBL31618959 0.81 ACE (0.51) CTSDACE

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 ENPEP 41/4885GRB2 600/4885CTSD 2704/4885

“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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