SCHEMBL1235161

SCHEMBL1235161

CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.49
CTSS P25774 11/20 0.49
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL1235160 1.00 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL4279525 1.00 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1277727 0.91 ITGB3 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL2860662 0.91 ITGB3 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL13640176 0.91 ITGB3 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL9301989 0.91 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL5702493 0.91 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL30385524 0.90 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL30589487 0.90 ITGB3 (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL14629603 0.88 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062755-B Near-infrared fluorescent molecular probe for detecting aspartyl aminopeptidase, preparation method and application 中国药科大学 2022-04-12 CN claimed
CN-112062755-A Near-infrared fluorescent molecular probe for detecting aspartyl aminopeptidase, preparation method and application 中国药科大学 2020-12-11 CN claimed
US-20260137819-A1 FOLLICLE-STIMULATING HORMONE RECEPTOR (FSHR) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY INC (US) 2026-05-21 US disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
US-20260008750-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING PRODUCTION OF TRIMETHYLAMINE CLEVELAND CLINIC FOUND (US) 2026-01-08 US disclosed
EP-3604326-B1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORP (JP) 2026-01-07 EP disclosed
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
US-20250241926-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-31 US disclosed
EP-4419207-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 EP disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
WO-2025092841-A1 PSMA COMPOUND, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND USE THEREOF 山东威智知科药业有限公司 2025-05-08 WO disclosed
CN-100390169-C Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2008-05-28 CN disclosed
CN-1753888-A Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-03-29 CN disclosed
US-20040249187-A1 Method for producing chiral amino acid derivatives BAYER CHEMICALS AG (DE) 2004-12-09 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 US disclosed
EP-0757677-B1 BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES SYNTEX LLC (US) 2003-06-18 EP disclosed
US-5719280-A REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID SYNTEX (U.S.A.) INC. (US) 1998-02-17 US disclosed
EP-0757677-A1 BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1997-02-12 EP disclosed
US-5538988-A CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS SYNTEX (U.S.A.) INC. 1996-07-23 US disclosed
WO-1995029165-A2 BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-11-02 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 (7 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT CTSK 2636/4885CTSS 2861/4885CTSL 2454/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSK 4661/4885CTSS 4022/4885CTSL 1563/4885
US-20250241926-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA CTSK 1668/4885CTSS 1842/4885CTSL 2531/4885
US-20260137819-A1 FOLLICLE-STIMULATING HORMONE RECEPTOR (FSHR) TARGETED THERAPEUTICS AND USES THEREOF FSHR, GNRHR, LHCGR CTSK 1492/4885CTSS 1158/4885CTSL 1007/4885
US-20260008750-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING PRODUCTION OF TRIMETHYLAMINE SLC6A6, BHMT2, BHMT CTSK 3175/4885CTSS 3769/4885CTSL 4577/4885
US-20040249187-A1 Method for producing chiral amino acid derivatives ADH5, AADAT, NOS2 CTSK 4469/4885CTSS 4651/4885CTSL 4392/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS CTSK 1467/4885CTSS 1044/4885CTSL 1104/4885

“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.