SCHEMBL9303884

SCHEMBL9303884

O=C(O)CC1COCC1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 6/20 0.50
SLC6A11 P48066 6/20 0.50
SLC6A13 Q9NSD5 6/20 0.50
HSD11B1 P28845 1/20 0.36
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34
GABRR1 P24046 6/20 0.33
SLC6A1 P30531 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRB2 P47870 3/20 0.33
GRM2 Q14416 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRA4 P48169 2/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL22870048 1.00 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13HSD11B1ITGB3
SCHEMBL17008826 0.85 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13HSD11B1ITGB3
SCHEMBL30195895 0.84 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13HSD11B1GABRR1
SCHEMBL31121545 0.84 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13HSD11B1GABRR1
SCHEMBL31615208 0.83 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13CYP2C9CYP2C19
SCHEMBL30490358 0.80 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13HSD11B1GABRR1
SCHEMBL1830399 0.78
SCHEMBL14249941 0.76
SCHEMBL17294428 0.74 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL28841777 0.74 LMNA (0.38) SLC6A12SLC6A11SLC6A13CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232057-B Synthesis method of gliclazide intermediate 3-azabicyclo [3.3.0] octane 上海巽田科技股份有限公司 2024-01-26 CN claimed
CN-115232057-A Synthesis method of gliclazide intermediate 3-azabicyclo [3.3.0] octane 上海巽田科技股份有限公司 2022-10-25 CN claimed
US-12157755-B2 CD73 inhibitor, preparation method therefor and application thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-12-03 US disclosed
CN-118786128-A Compounds and methods for treating viral infections 吉利德科学公司 2024-10-15 CN disclosed
CN-118369335-A N1-modified pseudouridine and application thereof in mRNA synthesis 上海吉量医药工程有限公司 2024-07-19 CN disclosed
CN-118165034-A Nucleotide compound, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2024-06-11 CN disclosed
CN-114539340-B CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2024-06-07 CN disclosed
CN-117466964-A Nucleoside diphosphate compound and preparation method thereof 南京烁慧医药科技有限公司 2024-01-30 CN disclosed
CN-115232057-B Synthesis method of gliclazide intermediate 3-azabicyclo [3.3.0] octane 上海巽田科技股份有限公司 2024-01-26 CN disclosed
CN-115232057-B Synthesis method of gliclazide intermediate 3-azabicyclo [3.3.0] octane 上海巽田科技股份有限公司 2024-01-26 CN disclosed
CN-116715700-A CD73 inhibitor, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-09-08 CN disclosed
CN-113366008-B CD73 inhibitor, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-06-23 CN disclosed
CN-111620909-B Prodrug of Reidesvir, preparation method and application thereof 广东中科药物研究有限公司 2022-12-02 CN disclosed
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 WO disclosed
CN-115232057-A Synthesis method of gliclazide intermediate 3-azabicyclo [3.3.0] octane 上海巽田科技股份有限公司 2022-10-25 CN disclosed
CN-115232057-A Synthesis method of gliclazide intermediate 3-azabicyclo [3.3.0] octane 上海巽田科技股份有限公司 2022-10-25 CN disclosed
CN-114539340-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2022-05-27 CN disclosed
US-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-05-26 US disclosed
US-5276169-A Antimycotic carbonyl- and amino-substituted tetrahydrofurans BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
EP-0538688-A1 Substituted tetrahydrofurans, methods for their preparation, and their use as pharmaceutical compositions BAYER AG (DE) 1993-04-28 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-12157755-B2 CD73 inhibitor, preparation method therefor and application thereof ENTPD5, ENTPD1, NT5E SLC6A12 4004/4885SLC6A11 1129/4885SLC6A13 2053/4885
US-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ENTPD5, ENTPD1, NT5E SLC6A12 4004/4885SLC6A11 1129/4885SLC6A13 2053/4885

“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.