SCHEMBL2198384

SCHEMBL2198384

CC(C)(C)OC(=O)CP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ENO1 P06733 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
GRM4 Q14833 1/20 0.33
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL11682036 0.98 MEN1 (0.39) MEN1LMNAHPGDTSHRBLM
Ammonia Solution, Strong SCHEMBL11682038 0.98 MEN1 (0.39) MEN1LMNAHPGDTSHRBLM
Butane SCHEMBL97927 0.94 MEN1 (0.36) MEN1LMNAHPGDTSHRBLM
Diethylamine SCHEMBL27878057 0.88 ENO1 (0.33) MEN1LMNAHPGDTSHRBLM
SCHEMBL799524 0.81 DGAT1 (0.33) TDP1DGAT1CYP2D6HDAC3HDAC1
SCHEMBL1692278 0.80 MEN1 (0.36) MEN1LMNAHPGDTSHRBLM
SCHEMBL1327919 0.80 MEN1 (0.36) MEN1LMNAHPGDTSHRBLM
SCHEMBL7514893 0.79 LMNA (0.34) MEN1LMNAHPGDTSHRBLM
SCHEMBL28160941 0.77 L3MBTL1 (0.33) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL421908 0.77 DGAT1 (0.35) LMNADGAT1CYP2D6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447355-A Preparation method of milbelin intermediate 南京威凯尔生物医药科技有限公司 2024-01-26 CN claimed
CN-114195661-B Preparation method of milobalin benzenesulfonate 苏州楚凯药业有限公司 2023-12-22 CN claimed
CN-112384493-B Process for preparing fused tricyclic gamma-amino acid derivatives and intermediates 四川海思科制药有限公司 2023-06-06 CN claimed
CN-115557964-A Preparation method of pharmaceutical compound 启东东岳药业有限公司 2023-01-03 CN claimed
CN-113480545-B Imidazopyrazinone compound and preparation method and application thereof 山东大学 2022-08-26 CN claimed
CN-114195661-A Preparation method of milobalin besylate 苏州楚凯药业有限公司 2022-03-18 CN claimed
CN-113480545-A Imidazopyrazinone compound and preparation method and application thereof 山东大学 2021-10-08 CN claimed
CN-112384493-A Process for the preparation of fused tricyclic gamma-amino acid derivatives and intermediates 四川海思科制药有限公司 2021-02-19 CN claimed
WO-2020029762-A1 PREPARATION METHOD FOR FUSED TRICYCLIC γ-AMINO ACID DERIVATIVE AND INTERMEDIATE THEREOF 四川海思科制药有限公司 2020-02-13 WO claimed
CN-117945887-A Preparation method of milbelin intermediate (2E) -4-ethylheptyl-2, 6-dienoic acid 山东新时代药业有限公司 2024-04-30 CN disclosed
CN-114214375-B Process for the preparation of (R) -3- (4-halo-1H-pyrazol-1-yl) -3-cyclopentylpropionate 江苏威凯尔医药科技有限公司 2024-03-19 CN disclosed
CN-114195661-B Preparation method of milobalin benzenesulfonate 苏州楚凯药业有限公司 2023-12-22 CN disclosed
CN-114195661-B Preparation method of milobalin benzenesulfonate 苏州楚凯药业有限公司 2023-12-22 CN disclosed
CN-116462576-B Preparation method of key intermediate of milabalin 山东新时代药业有限公司 2023-12-19 CN disclosed
US-6846802-B2 Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties SCHERING CORPORATION (US) 2005-01-25 US disclosed
US-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections VERSICOR, INC. 2003-07-03 US disclosed
US-20020107181-A1 Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties SCHERING CORPORATION 2002-08-08 US disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO disclosed
US-4052439-A TREATMENT OF HERPES SIMPLEX INFECTIONS ABBOTT LABORATORIES (US) 1977-10-04 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 (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-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections BCAT2, BCAT1, AADAT MEN1 1491/4885LMNA 2729/4885HPGD 977/4885
US-20020107181-A1 Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties HPN, TMPRSS15, HAVCR2 MEN1 4279/4885LMNA 2923/4885HPGD 1319/4885

“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.