SCHEMBL25917050

SCHEMBL25917050

CCCC(CC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CYP2D6 P10635 1/20 0.40
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL28240301 1.00 CA1 (0.49) CA1CA2CYP2D6HDAC8HDAC6
SCHEMBL8258147 0.92 CA2 (0.61) CA1CA2CYP2D6CTSKBIRC2
SCHEMBL27817674 0.83 CA1 (0.52) CA1CA2HDAC8HDAC6HDAC7
SCHEMBL4835503 0.83 FOLH1 (0.39) CA1CA2CYP2D6HDAC8HDAC6
SCHEMBL8237941 0.83 CA1 (0.50) CA1CA2HDAC8HDAC6HDAC7
SCHEMBL629052 0.83 CYP2D6 (0.38) CA1CA2CYP2D6HDAC8HDAC6
SCHEMBL16798232 0.82 HDAC1 (0.54) CA2CYP2D6HDAC8HDAC6HDAC7
SCHEMBL7051239 0.82 HDAC1 (0.54) CA2CYP2D6HDAC8HDAC6HDAC7
SCHEMBL6448846 0.82 HDAC1 (0.54) CA2CYP2D6HDAC8HDAC6HDAC7
SCHEMBL16310556 0.82 HDAC8 (0.39) CA1CA2CYP2D6HDAC8HDAC6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110358752-B Aspergillus oryzae lipase and application thereof in preparation of brivaracetam chiral intermediate 浙江工业大学 2021-05-11 CN claimed
CN-110358752-A A kind of Aspergillus oryzae lipase and preparing the application in Bu Waxitan chiral intermediate 浙江工业大学 2019-10-22 CN claimed
US-20230242481-A1 Preparation Method For Brivaracetam ZHEJIANG TIANYU PHARMACEUTICAL CO., LTD. (CN) 2023-08-03 US disclosed
CN-110036001-B Benzo [ b ] thiophene compounds as STING agonists 默沙东公司 2022-03-22 CN disclosed
CN-111675643-B Preparation method of brivaracetam 浙江天宇药业股份有限公司 2021-10-26 CN disclosed
CN-110358752-B Aspergillus oryzae lipase and application thereof in preparation of brivaracetam chiral intermediate 浙江工业大学 2021-05-11 CN disclosed
CN-110358752-B Aspergillus oryzae lipase and application thereof in preparation of brivaracetam chiral intermediate 浙江工业大学 2021-05-11 CN disclosed
CN-111675643-A Preparation method of brivaracetam 浙江天宇药业股份有限公司 2020-09-18 CN disclosed
CN-111170881-A Preparation method of brivaracetam intermediate 上海医药集团股份有限公司 2020-05-19 CN disclosed
CN-108689903-B Novel preparation method of brivaracetam 北京艾百诺医药股份有限公司 2019-12-24 CN disclosed
CN-108503573-B A kind of new preparation method of Bu Waxitan 北京艾百诺医药股份有限公司 2019-11-22 CN disclosed
CN-110358752-A A kind of Aspergillus oryzae lipase and preparing the application in Bu Waxitan chiral intermediate 浙江工业大学 2019-10-22 CN disclosed
CN-110358752-A A kind of Aspergillus oryzae lipase and preparing the application in Bu Waxitan chiral intermediate 浙江工业大学 2019-10-22 CN disclosed
CN-108689903-A A kind of new preparation method of Bu Waxitan 北京艾百诺医药股份有限公司 2018-10-23 CN disclosed
CN-108503573-A A kind of new preparation method of Bu Waxitan 北京艾百诺医药股份有限公司 2018-09-07 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 (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-20230242481-A1 Preparation Method For Brivaracetam BLVRB, BPGM, CYP2B6 CA1 4490/4885CA2 1939/4885CYP2D6 39/4885

“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.