SCHEMBL25205403

SCHEMBL25205403

CC(C)(CO[N+](=O)[O-])C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
ALDH1A1 P00352 2/20 0.39
EGLN1 Q9GZT9 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CTH P32929 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLA2G2A P14555 1/20 0.30

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
SCHEMBL28674397 0.87 ALDH1A1 (0.39) BCHEACHEALDH1A1LMNA
SCHEMBL28655833 0.85 ALDH1A1 (0.38) BCHEACHEALDH1A1
SCHEMBL9499979 0.79 ALDH1A1 (0.38) BCHEACHEALDH1A1
SCHEMBL9500160 0.79 BCHE (0.41) BCHEACHEALDH1A1MAPT
SCHEMBL9497845 0.76 ALDH1A1 (0.36) BCHEACHEALDH1A1
SCHEMBL9498409 0.76 BCHE (0.40) BCHEACHEALDH1A1MAPT
SCHEMBL9498052 0.76 BCHE (0.44) BCHEACHEALDH1A1MAPT
SCHEMBL2015730 0.76 ALDH1A1 (0.50) BCHEACHEALDH1A1
Fumaric Acid SCHEMBL9795190 0.75 BCHE (0.40) BCHEACHEALDH1A1
Fumaric Acid SCHEMBL9795414 0.75 BCHE (0.36) BCHEACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4175943-B1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS BEIJING CO LTD (CN) 2026-02-11 EP disclosed
US-11987556-B2 Dual-functional compounds and methods of use BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2024-05-21 US disclosed
CN-113767104-B Bifunctional compounds and methods of use thereof 百放英库医药科技(北京)有限公司 2023-08-22 CN disclosed
US-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2023-06-08 US disclosed
EP-4175943-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE Biofront Therapeutics (Beijing) Co., Ltd. (CN) 2023-05-10 EP disclosed
WO-2023005180-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2023-02-02 WO disclosed
WO-2022022669-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2022-02-03 WO disclosed
CN-113767104-A Bifunctional compounds and methods of use thereof 百放英库医药科技(北京)有限公司 2021-12-07 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 (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-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE PDE1A, PDE3B, PDE1B BCHE 113/4885ACHE 25/4885ALDH1A1 471/4885
US-11987556-B2 Dual-functional compounds and methods of use PDE1A, PDE3B, PDE1B BCHE 113/4885ACHE 25/4885ALDH1A1 471/4885

“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.