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SCHEMBL3544394

SCHEMBL3544394

CC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.54
▸ CTSK P43235 8/20 0.54
▸ CTSL P07711 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PPARA Q07869 5/20 0.47
▸ PPARG P37231 4/20 0.47
▸ CAPN1 P07384 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ PPARD Q03181 2/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45

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
SCHEMBL1626495 1.00 CTSS (0.54) CTSSCTSKCTSLCTSBMEN1
SCHEMBL5019146 1.00 CTSS (0.54) CTSSCTSKCTSLCTSBMEN1
SCHEMBL22637154 0.90 CTSS (0.50) CTSSCTSKCTSLCTSBMEN1
SCHEMBL606453 0.90 CTSS (0.50) CTSSCTSKCTSLCTSBMEN1
SCHEMBL8296164 0.90 CTSS (0.50) CTSSCTSKCTSLCTSBMEN1
SCHEMBL29398196 0.90 MEN1 (0.49) CTSSCTSKCTSLCTSBMEN1
SCHEMBL6936247 0.90 MEN1 (0.49) CTSSCTSKCTSLCTSBMEN1
SCHEMBL23979014 0.88 CTSK (0.49) CTSSCTSKCTSLCTSBMEN1
SCHEMBL29157629 0.88 CTSK (0.49) CTSSCTSKCTSLCTSBMEN1
SCHEMBL24130788 0.88 CTSS (0.65) CTSSCTSKCTSLCTSBGAA

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680311-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ELI LILLY AND COMPANY 2004-01-20 — — US claimed
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 — — EP disclosed
EP-4702045-A1 GLUCOSE SENSITIVE INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2026-03-04 — — EP disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 — — US disclosed
EP-4678238-A2 ARGINASE INHIBITORS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2026-01-14 — — EP disclosed
US-20250313578-A1 Arginase Inhibitors and Methods of Use Thereof ASTRAZENECA AB (SE) 2025-10-09 — — US disclosed
EP-3752251-B1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2025-09-10 — — EP disclosed
US-20250206780-A1 CYCLIC PEPTIDES AND THEIR USE FOR THE TREATMENT OF DISEASES ASSOCIATED WITH DICARBONYLS LIKE METHYLGLYOXAL Universität Heidelberg (DE) 2025-06-26 — — US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 — — EP disclosed
EP-4514465-A1 CYCLIC PEPTIDES AND THEIR USE FOR THE TREATMENT OF DISEASES ASSOCIATED WITH DICARBONYLS LIKE METHYLGLYOXAL Universität Heidelberg (DE) 2025-03-05 — — EP disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 — — US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 — — US disclosed
EP-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 — — EP disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 — — WO disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 — — US disclosed
EP-0934065-B1 NOVEL CRYPTOPHYCIN DERIVATIVES AS ANTI-NEOPLASTIC AGENTS UNIV HAWAII (US) 2006-06-07 — — EP disclosed
US-6680311-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ELI LILLY AND COMPANY 2004-01-20 — — US disclosed
EP-0934065-A4 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 2000-10-11 — — EP disclosed
EP-0934065-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-08-11 — — EP disclosed
WO-1998008505-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-03-05 — — 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 (5 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-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 CTSS 1105/4885CTSK 2645/4885CTSL 912/4885
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 CTSS 1911/4885CTSK 538/4885CTSL 2400/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSS 4022/4885CTSK 4661/4885CTSL 1563/4885
US-20250313578-A1 Arginase Inhibitors and Methods of Use Thereof ARG1, ARG2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CTSS 1804/4885CTSK 2772/4885CTSL 1496/4885
US-20250206780-A1 CYCLIC PEPTIDES AND THEIR USE FOR THE TREATMENT OF DISEASES ASSOCIATED WITH DICARBONYLS LIKE METHYLGLYOXAL ARGLU1, PTMS, GLS CTSS 891/4885CTSK 1063/4885CTSL 582/4885

“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.