SCHEMBL31199044

SCHEMBL31199044

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.59
CTRB1 P17538 3/20 0.57
GNPAT O15228 1/20 0.55
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ACE P12821 2/20 0.53
CPA1 P15085 2/20 0.53
ACE2 Q9BYF1 2/20 0.53

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
SCHEMBL30799461 0.95 MME (0.54) MMECTRB1GNPATALDH1A1THRB
SCHEMBL29576197 0.94 MME (0.57) MMECTRB1ALDH1A1THRBCYP2C9
SCHEMBL29531699 0.94 MME (0.57) MMECTRB1ALDH1A1THRBCYP2C9
SCHEMBL29702065 0.93 MME (0.61) MMECTRB1GNPATACECPA1
SCHEMBL29367272 0.92 MME (0.51) MMECTRB1GNPATALDH1A1THRB
SCHEMBL30799258 0.90 CTRB1 (0.50) MMECTRB1GNPATALDH1A1THRB
SCHEMBL31441080 0.90 MME (0.58) MMEACECPA1ACE2
Alanyl-Dl-Phenylalanine SCHEMBL893240 0.90 MME (0.65) MMECTRB1ACECPA1ACE2
Alanyl-Dl-Phenylalanine SCHEMBL28743188 0.90 MME (0.65) MMECTRB1ACECPA1ACE2
Alanyl-Dl-Phenylalanine SCHEMBL893241 0.90 MME (0.65) MMECTRB1ACECPA1ACE2

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-20240376151-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-11-14 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-20240376151-A1 STAPLED PEPTIDES AND METHODS THEREOF VIP, IAPP, GLP1R MME 438/4885CTRB1 1526/4885GNPAT 4174/4885

“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.