SCHEMBL2158663

SCHEMBL2158663

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.53
GRN P28799 1/20 0.52
SORT1 Q99523 1/20 0.52
PPARG P37231 5/20 0.51
CTSK P43235 9/20 0.49
CTSS P25774 6/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 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
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL212031 1.00 PPARA (0.53) PPARAGRNSORT1PPARGCTSK
SCHEMBL213064 1.00 PPARA (0.53) PPARAGRNSORT1PPARGCTSK
SCHEMBL31276763 0.94 PPARA (0.49) PPARAGRNSORT1PPARGCTSK
SCHEMBL20592494 0.88 PPARA (0.50) PPARAGRNSORT1PPARGCTSK
SCHEMBL20592496 0.88 PPARA (0.50) PPARAGRNSORT1PPARGCTSK
SCHEMBL29770564 0.88 PPARA (0.45) PPARAGRNSORT1PPARGCTSK
SCHEMBL27587953 0.87 GRN (0.54) PPARAGRNSORT1PPARGCTSK
SCHEMBL27587952 0.87 GRN (0.54) PPARAGRNSORT1PPARGCTSK
SCHEMBL588912 0.86 PPARA (0.53) PPARAPPARGCTSKCTSSCTSL
SCHEMBL580779 0.86 PPARA (0.53) PPARAPPARGCTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698457-B Preparation method of gonadorelin acetate 上海丽珠制药有限公司 2024-06-11 CN claimed
CN-113698457-A Preparation method of gonadorelin acetate 上海丽珠制药有限公司 2021-11-26 CN claimed
CN-108948147-B Novel antibiotic for treating drug-resistant gram-positive bacteria and tuberculosis 清华大学 2020-11-17 CN claimed
CN-107778352-B Novel antibiotic for treating drug-resistant gram-positive bacteria and tuberculosis 清华大学 2020-10-27 CN claimed
US-12565490-B2 Inhibitors of Receptor Interacting Protein Kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2026-03-03 US disclosed
CN-119080874-A O-tert-butyl-L-seryl-glycine and preparation method thereof 四川什邡市三高生化实业有限公司 2024-12-06 CN disclosed
CN-118696048-A Camptothecin derivative, antibody-drug conjugate and pharmaceutical composition based on camptothecin derivative and application of camptothecin derivative 同宜医药(苏州)有限公司 2024-09-24 CN disclosed
CN-113698457-B Preparation method of gonadorelin acetate 上海丽珠制药有限公司 2024-06-11 CN disclosed
US-20240140915-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING WRN HELICASE INHIBITORS VIVIDION THERAPEUTICS, INC. 2024-05-02 US disclosed
US-20240067612-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING WRN HELICASE INHIBITORS VIVIDION THERAPEUTICS, INC. 2024-02-29 US disclosed
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 CN disclosed
CN-110678198-B Targeting modules to immune cells expressing universal chimeric antigen receptor and their use in the treatment of cancer, infections and autoimmune disorders 阿文塞勒欧洲有限公司 2024-02-02 CN disclosed
US-20090082254-A1 Coupling of Polypeptides at the C-Terminus NOVO NORDISK A/S (DK) 2009-03-26 US disclosed
EP-1986694-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS Novo Nordisk A/S (DK) 2008-11-05 EP disclosed
WO-2008021235-A2 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 2-(QUINOLIN-5-YL)-4,5 DISUBSTITUTED-AZOLE DERIVATIVES SCHERING CORPORATION (US) 2008-02-21 WO disclosed
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
WO-2007093594-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (DK) 2007-08-23 WO disclosed
US-20070078185-A1 Methods and compositions for controlling invertebrate pests MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2007-04-05 US disclosed
CN-1639155-A Pyrrolidine oxadiazole- and thiadiazole derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-07-13 CN disclosed
CN-1308608-A Substituted beta-amino acid inhibitors of methionine aminopeptidase-2 ABBOTT LAB (US) 2001-08-15 CN 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 (6 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-20090082254-A1 Coupling of Polypeptides at the C-Terminus PTMS, VIP, LNPEP PPARA 3958/4885GRN 614/4885SORT1 817/4885
US-20070078185-A1 Methods and compositions for controlling invertebrate pests DDT, TYR, DDC PPARA 4676/4885GRN 2323/4885SORT1 2924/4885
US-20240067612-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING WRN HELICASE INHIBITORS RECQL, BLM, WRN PPARA 3369/4885GRN 1053/4885SORT1 4804/4885
US-20240140915-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING WRN HELICASE INHIBITORS RECQL, BLM, WRN PPARA 3369/4885GRN 1053/4885SORT1 4804/4885
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives PDE4B, PDE4A, PDE3B PPARA 3223/4885GRN 4678/4885SORT1 4587/4885
US-12565490-B2 Inhibitors of Receptor Interacting Protein Kinase I for the treatment of disease RIPK1, RIPK4, RIPK2 PPARA 2222/4885GRN 2380/4885SORT1 2448/4885

“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.