SCHEMBL30799415

SCHEMBL30799415

C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.54
GNPAT O15228 1/20 0.53
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
MME P08473 7/20 0.51
ACE P12821 2/20 0.51
CPA1 P15085 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
MMP2 P08253 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL30799884 1.00 CTRB1 (0.54) CTRB1GNPATALDH1A1RAB9AMME
SCHEMBL30799933 0.95 BACE1 (0.54) CTRB1GNPATALDH1A1RAB9A
SCHEMBL30799258 0.95 CTRB1 (0.50) CTRB1GNPATALDH1A1RAB9AMME
SCHEMBL30974110 0.95 MME (0.55) CTRB1MMEACECPA1ACE2
SCHEMBL30898724 0.94 MME (0.54) MMEACECPA1ACE2MMP9
SCHEMBL30799666 0.94 MME (0.56) MMEMMP2MMP7MMP9MMP12
SCHEMBL30799469 0.91 MME (0.60) CTRB1GNPATMMEACECPA1
SCHEMBL29702065 0.90 MME (0.61) CTRB1GNPATMMEACECPA1
SCHEMBL30799499 0.90 GHSR (0.56) GNPATMMP2
SCHEMBL29786766 0.90 MME (0.53) MMEACECPA1ACE2MMP9

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 CTRB1 2805/4885GNPAT 3689/4885ALDH1A1 4142/4885

“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.