SCHEMBL30799645

SCHEMBL30799645

NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.51
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
NPY4R P50391 1/20 0.49
GHSR Q92847 1/20 0.49

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
SCHEMBL30799428 0.90 GHSR (0.52) ECE1NPY1RNPY2RNPY4RGHSR
SCHEMBL30799643 0.87 GHSR (0.48) ECE1GHSR
SCHEMBL30799684 0.81 ECE1 (0.64) ECE1
SCHEMBL22133113 0.81 ECE1 (0.64) ECE1
SCHEMBL13725698 0.81 ECE1 (0.64) ECE1
SCHEMBL31748032 0.81 ECE1 (0.66) ECE1NPY1RNPY2RNPY4RGHSR
SCHEMBL30291268 0.81 ECE1 (0.69) ECE1NPY1RNPY2RNPY4RGHSR
SCHEMBL5558360 0.81 ECE1 (0.69) ECE1NPY1RNPY2RNPY4RGHSR
SCHEMBL29587170 0.81 KISS1R (0.67)
SCHEMBL30792399 0.80 LTA4H (0.61)

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 ECE1 1922/4885NPY1R 249/4885NPY2R 402/4885

“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.