SCHEMBL9116850

SCHEMBL9116850

CC(C)C(N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4939145 1.00 DGAT1 (0.40) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL28195825 1.00 DGAT1 (0.40) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL2330290 0.88 DGAT1 (0.38) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL25436173 0.88 DGAT1 (0.38) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL30185755 0.88 DGAT1 (0.38) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL28815007 0.86 DGAT1 (0.36) DGAT1CYP1A2CYP2D6CTSSCTSK
SCHEMBL28199018 0.86 DGAT1 (0.36) DGAT1CYP1A2CYP2D6
SCHEMBL4907419 0.86 DGAT1 (0.36) DGAT1CYP1A2CYP2D6
SCHEMBL1536326 0.84 DGAT1 (0.39) DGAT1CYP1A2CYP2D6
SCHEMBL27797420 0.84 DGAT1 (0.35) DGAT1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177429-A1 ORALLY ACTIVE PRODRUG OF GEMCITABINE LAEVOROC CHEMOTHERAPY AG (CH) 2025-06-05 US claimed
EP-4490165-A1 ORALLY ACTIVE PRODRUG OF GEMCITABINE Laevoroc Chemotherapy AG (CH) 2025-01-15 EP claimed
CN-118891268-A Orally active prodrugs of gemcitabine 莱沃罗克化疗股份公司 2024-11-01 CN claimed
WO-2023170279-A1 ORALLY ACTIVE PRODRUG OF GEMCITABINE LAEVOROC CHEMOTHERAPY AG (CH) 2023-09-14 WO claimed
CN-105263941-A Alkyl esters of 2- { [ (2R,3S,5R) -5- (4-amino-2-oxo-2H-pyrimidin-1-yl) -3-hydroxy-tetrahydro-furan-2-ylmethoxy ] -phenoxy-phosphorylamino } -propionic acid, nucleoside inhibitors of HCV RNA-polymerase NS5B, processes for their preparation and their use IVACHTCHENKO ALEXANDRE VASILIEVICH 2016-01-20 CN claimed
CN-103103239-A Method for synthesizing thymopentin by enzyme UNIV SOUTH CHINA AGRICULT 2013-05-15 CN claimed
CN-101044151-B Antiviral 4'-azido-nucleosides HOFFMANN LA ROCHE 2011-01-19 CN claimed
CN-101044151-A Antiviral 4'-azido-nucleosides HOFFMANN LA ROCHE (CH) 2007-09-26 CN claimed
US-20250177429-A1 ORALLY ACTIVE PRODRUG OF GEMCITABINE LAEVOROC CHEMOTHERAPY AG (CH) 2025-06-05 US disclosed
EP-4490165-A1 ORALLY ACTIVE PRODRUG OF GEMCITABINE Laevoroc Chemotherapy AG (CH) 2025-01-15 EP disclosed
CN-118891268-A Orally active prodrugs of gemcitabine 莱沃罗克化疗股份公司 2024-11-01 CN disclosed
EP-4244221-A1 PRODRUG OF PYRROLIDONE DERIVATIVES AS GLUCOKINASE ACTIVATOR Hua Medicine (Shanghai) Ltd. (CN) 2023-09-20 EP disclosed
WO-2023170279-A1 ORALLY ACTIVE PRODRUG OF GEMCITABINE LAEVOROC CHEMOTHERAPY AG (CH) 2023-09-14 WO disclosed
WO-2023040937-A1 PRODRUG OF PYRROLIDONE DERIVATIVES AS GLUCOKINASE ACTIVATOR HUA MEDICINE (SHANGHAI) LTD. (CN) 2023-03-23 WO disclosed
CN-1703221-A 2-alkyl- (2-amino-3-aryl-propionyl) -piperazine derivatives and related compounds as melanocortin receptor ligands for the treatment of obesity PROCTER & GAMBLE (US) 2005-11-30 CN disclosed
CN-1350525-A 1,3,4-oxadiazole derivatives and process for producing the same ONO PHARMACEUTICAL CO (JP) 2002-05-22 CN disclosed
WO-1995030651-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES CIBA-GEIGY AG (CH) 1995-11-16 WO disclosed
US-5047399-A Hypotensive Agents SCHERING CORPORATION (US) 1991-09-10 US disclosed
US-4766109-A HYPOTENSIVE AGENTS SCHERING CORPORATION (US) 1988-08-23 US disclosed
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US 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-20250177429-A1 ORALLY ACTIVE PRODRUG OF GEMCITABINE RNASE1, TYMP, DPYD DGAT1 978/4885CYP1A2 1992/4885CYP2D6 423/4885

“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.