SCHEMBL539574

SCHEMBL539574

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.66
CTSK P43235 5/20 0.66
KLK5 Q9Y337 1/20 0.58
MDM4 O15151 1/20 0.57
MDM2 Q00987 1/20 0.57
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.54
LNPEP Q9UIQ6 1/20 0.54
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
NLRP3 Q96P20 1/20 0.50
LY96 Q9Y6Y9 1/20 0.50
ACE P12821 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50

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
SCHEMBL2574440 1.00 CTSS (0.66) CTSSCTSKKLK5MDM4MDM2
SCHEMBL539575 1.00 CTSS (0.66) CTSSCTSKKLK5MDM4MDM2
SCHEMBL30374091 1.00 CTSS (0.66) CTSSCTSKKLK5MDM4MDM2
SCHEMBL22191069 0.95 CTSS (0.67) CTSSCTSKKLK5MDM4MDM2
SCHEMBL22191071 0.95 CTSS (0.67) CTSSCTSKKLK5MDM4MDM2
SCHEMBL22201737 0.95 CTSS (0.67) CTSSCTSKKLK5MDM4MDM2
SCHEMBL309644 0.93 CTSS (0.67) CTSSCTSKKLK5MDM4MDM2
SCHEMBL2076110 0.93 CTSS (0.67) CTSSCTSKKLK5MDM4MDM2
SCHEMBL14405376 0.93 CTSS (0.67) CTSSCTSKKLK5MDM4MDM2
SCHEMBL14884529 0.91 CTSS (0.62) CTSSCTSKKLK5MDM4MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079925-A Preparation method of benzothiazole ether compound 2026-05-26 CN claimed
CN-120004764-A Preparation method of amino acid tert-butyl ether 四川什邡市三高生化实业有限公司 2025-05-16 CN claimed
CN-118388361-A Formaldehyde reactive unnatural amino acid, preparation method and application thereof 北京大学深圳研究生院 2024-07-26 CN claimed
CN-118206565-A Catalytic marking reagent with phosphatidylserine targeting function and micro-region proteome marking and identifying method 中国科学院大连化学物理研究所 2024-06-18 CN claimed
CN-117181306-B Preparation method of hydrolysis desulfurization bifunctional catalyst for blast furnace gas 明硕环境科技集团股份有限公司 2024-03-15 CN claimed
CN-117181306-A Preparation method of hydrolysis desulfurization bifunctional catalyst for blast furnace gas 明硕环境科技集团股份有限公司 2023-12-08 CN claimed
CN-116874487-A Matrine derivative nano-particles and preparation method and application thereof 广西大学 2023-10-13 CN claimed
CN-116726997-A Preparation method of amino acid functionalized column [5] aromatic hydrocarbon supermolecule chiral catalyst 广西大学 2023-09-12 CN claimed
CN-116173908-B Ferric oxide desulfurizing agent based on modified activated carbon load and preparation method thereof 明硕环境科技集团股份有限公司 2023-07-04 CN claimed
CN-116173908-A Ferric oxide desulfurizing agent based on modified activated carbon load and preparation method thereof 明硕环境科技集团股份有限公司 2023-05-30 CN claimed
CN-112679400-B Psamaplin A derivative and preparation method and application thereof 青岛海洋生物医药研究院股份有限公司 2022-10-04 CN claimed
CN-112142825-B Method for synthesizing carbetocin in fragment mode 山东辰龙药业有限公司 2022-03-11 CN claimed
CN-109896993-A The preparation and application of the compound-modified cinnamic acid derivative of new pyridine organic micromolecule 中国科学院大连化学物理研究所 2019-06-18 CN claimed
EP-0624599-B1 Derivatives of mono (6-amino-desoxy)cyclodextrin substituted in position 6 with an alpha aminoacid group, process of their preparation and applications OREAL (FR) 1997-07-30 EP claimed
CN-122079925-A Preparation method of benzothiazole ether compound 2026-05-26 CN disclosed
US-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS MERCK SHARP & DOHME LLC (US) 2026-04-30 US disclosed
US-20260108619-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2026-04-23 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP 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 (2 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-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS IL1A, IL1B, IL1RN CTSS 565/4885CTSK 868/4885KLK5 3938/4885
US-20260108619-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS DCLRE1A, CCR3, CCR8 CTSS 2825/4885CTSK 2135/4885KLK5 4700/4885

“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.