SCHEMBL24036408

SCHEMBL24036408

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OI

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 2/20 0.55
▸ ANPEP P15144 2/20 0.55
▸ RNPEP Q9H4A4 1/20 0.55
▸ DNPEP Q9ULA0 1/20 0.55
▸ IL1RN P18510 4/20 0.52
▸ ERAP2 Q6P179 4/20 0.52
▸ ERAP1 Q9NZ08 3/20 0.52
▸ BIRC2 Q13490 1/20 0.51
▸ MME P08473 2/20 0.50
▸ LTA4H P09960 1/20 0.48

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
Bestatin Methyl Ester SCHEMBL9574604 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPIL1RN
Bestatin Methyl Ester SCHEMBL15261304 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPIL1RN
Bestatin Methyl Ester SCHEMBL12381043 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPIL1RN
SCHEMBL17278281 0.88 METAP2 (0.55) LAP3ANPEPRNPEPDNPEPIL1RN
SCHEMBL22703104 0.88 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPIL1RN
Ubenimex SCHEMBL25971 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL9247599 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL22632072 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL7944 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL17889224 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME

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-20220062258-A1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 2022-03-03 — — US disclosed
WO-2021229237-A1 CYCLOSPORINE ANALOGUES UCL BUSINESS LTD (GB) 2021-11-18 — — 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-20220062258-A1 Heterocyclic derivatives XIAP, UBQLN1, UBQLN2 LAP3 3616/4885ANPEP 4413/4885RNPEP 4585/4885

“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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