SCHEMBL30788016

SCHEMBL30788016

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 8/20 0.73
▸ ECE1 P42892 5/20 0.64
▸ IL1RN P18510 7/20 0.62
▸ ERAP1 Q9NZ08 5/20 0.62
▸ EDNRA P25101 1/20 0.62
▸ MMP2 P08253 2/20 0.60
▸ ACE P12821 2/20 0.60
▸ MMP9 P14780 1/20 0.60
▸ MMP8 P22894 1/20 0.60
▸ MMP1 P03956 1/20 0.60

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
SCHEMBL32681291 0.92 ERAP2 (0.68) ERAP2ECE1IL1RNERAP1MMP2
SCHEMBL29492470 0.92 ACE (0.62) ERAP2ECE1MMP2ACEMMP9
SCHEMBL29380886 0.89 ACE (0.73) ERAP2ECE1ACE
SCHEMBL21641791 0.89 ACE (0.73) ERAP2ECE1ACE
SCHEMBL21641792 0.89 ACE (0.73) ERAP2ECE1ACE
SCHEMBL21641793 0.89 ACE (0.73) ERAP2ECE1ACE
SCHEMBL30051522 0.89 ERAP2 (0.72) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL31042842 0.88 ERAP2 (0.69) ERAP2ECE1IL1RNERAP1EDNRA
SCHEMBL31337768 0.87 ERAP2 (0.67) ERAP2ECE1IL1RNERAP1EDNRA
SCHEMBL31563651 0.87 ERAP2 (0.67) ERAP2ECE1IL1RNERAP1EDNRA

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-20240042063-A1 LINKED AND OTHER pH-TRIGGERED COMPOUNDS UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2024-02-08 — — 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-20240042063-A1 LINKED AND OTHER pH-TRIGGERED COMPOUNDS LIPA, PHOSPHO1, NGLY1 ERAP2 735/4885ECE1 1676/4885IL1RN 3749/4885

“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.

Send feedback