SCHEMBL30799368

SCHEMBL30799368

NC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.56
ERBB2 P04626 1/20 0.54
ECE1 P42892 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP1 P03956 1/20 0.53
CCKAR P32238 1/20 0.52
CCKBR P32239 1/20 0.52
ERAP2 Q6P179 1/20 0.52
UTS2R Q9UKP6 1/20 0.52
NPY1R P25929 3/20 0.51
NPY2R P49146 3/20 0.51
NPY4R P50391 3/20 0.51
ACE P12821 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
SCHEMBL30799936 0.94 UTS2R (0.57) GHSRERBB2ECE1MMP9MMP8
SCHEMBL31074343 0.92 ERAP2 (0.59) ECE1ERAP2ACE
SCHEMBL30799518 0.90 GHSR (0.63) GHSR
SCHEMBL31483390 0.89 ACE (0.56) ECE1ERAP2UTS2RACE
SCHEMBL30799736 0.89 KDM4E (0.57) GHSRECE1NPY1RNPY2RNPY4R
SCHEMBL30799943 0.89 GHSR (0.59) GHSRMMP2MMP9MMP8ERAP2
SCHEMBL31606519 0.88 CCKBR (0.62) CCKARCCKBRNPY1RNPY2RNPY4R
SCHEMBL30291169 0.88 ERAP2 (0.58) GHSRECE1MMP1ERAP2NPY1R
SCHEMBL31146519 0.88 GHSR (0.61) GHSRNPY1RNPY2RNPY4R
SCHEMBL30799670 0.87 GHSR (0.68) GHSRECE1MMP9MMP8MMP1

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 GHSR 1194/4885ERBB2 1101/4885ECE1 1922/4885

“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.