SCHEMBL30834217

SCHEMBL30834217

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 5/20 0.56
▸ ERAP2 Q6P179 2/20 0.55
▸ GHSR Q92847 2/20 0.53
▸ ACE P12821 2/20 0.53
▸ ITGB2 P05107 1/20 0.52
▸ ICAM1 P05362 1/20 0.52
▸ ITGAL P20701 1/20 0.52
▸ IL1RN P18510 1/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51

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
SCHEMBL9653545 0.92 ECE1 (0.62) ECE1ERAP2GHSRACEITGB2
SCHEMBL2181464 0.92 ECE1 (0.62) ECE1ERAP2GHSRACEITGB2
SCHEMBL30052048 0.92 ITGB2 (0.58) ERAP2GHSRACEITGB2ICAM1
SCHEMBL29705214 0.90 GHSR (0.54) ECE1ERAP2GHSR
SCHEMBL30398128 0.90 GHSR (0.55) ECE1GHSRACEITGB2ICAM1
SCHEMBL30052260 0.88 GHSR (0.62) ECE1ERAP2GHSRACEITGB2
SCHEMBL31606505 0.86 GHSR (0.65) ECE1ERAP2GHSRACEITGB2
SCHEMBL31442126 0.85 GHSR (0.54) ERAP2GHSRIL1RNERAP1
SCHEMBL30736101 0.85 MMP2 (0.60) ECE1GHSR
SCHEMBL29533411 0.85 GHSR (0.65) ECE1GHSRACEITGB2ICAM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 — — US disclosed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 — — WO 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP ECE1 2106/4885ERAP2 3266/4885GHSR 966/4885

“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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