SCHEMBL30468117

SCHEMBL30468117

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 14/20 0.59
▸ NTSR2 O95665 12/20 0.59
▸ NPY1R P25929 2/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ SORT1 Q99523 10/20 0.57

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
SCHEMBL25918556 0.97 NPY1R (0.60) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29377200 0.93 NTSR1 (0.61) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30584178 0.92 NTSR1 (0.59) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30584170 0.90 NTSR1 (0.59) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30584172 0.90 NPY1R (0.59) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30584171 0.90 NTSR1 (0.60) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29612082 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL20707335 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29387174 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29611524 0.89 NPY1R (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R

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-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGXI NORMAL UNIVERSITY (CN) 2023-08-03 — — 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-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ACSL1, ACSL4, WEE1 NTSR1 1736/4885NTSR2 2537/4885NPY1R 710/4885

“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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