SCHEMBL28674397

SCHEMBL28674397

COC(=O)CNC(=O)C(C)(C)CO[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TET2 Q6N021 1/20 0.39
RECQL P46063 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.32
CA12 O43570 2/20 0.31
CA2 P00918 2/20 0.31
CA14 Q9ULX7 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
BIRC2 Q13490 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
SCHEMBL25205403 0.87 BCHE (0.40) ALDH1A1BCHEACHELMNA
SCHEMBL28655833 0.85 ALDH1A1 (0.38) ALDH1A1BCHEACHE
SCHEMBL9500160 0.79 BCHE (0.41) ALDH1A1BCHEACHEKDM4E
SCHEMBL9499979 0.79 ALDH1A1 (0.38) ALDH1A1BCHEACHE
SCHEMBL2015296 0.77 ALDH1A1 (0.46) ALDH1A1BCHEACHE
SCHEMBL9498409 0.76 BCHE (0.40) ALDH1A1BCHEACHEKDM4ECA12
SCHEMBL9497845 0.76 ALDH1A1 (0.36) ALDH1A1BCHEACHEKDM4E
SCHEMBL9498052 0.76 BCHE (0.44) ALDH1A1BCHEACHEKDM4E
SCHEMBL9498485 0.74 ACHE (0.39) ALDH1A1BCHEACHETSHRKDM4E
SCHEMBL5680086 0.73 BCHE (0.34) ALDH1A1BCHEACHE

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 3 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-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE BIOFRONT THERAPEUTICS (BEIJING) CO., LTD. (CN) 2023-06-08 US 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 (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-20230174482-A1 DUAL-FUNCTIONAL COMPOUNDS AND METHODS OF USE PDE1A, PDE3B, PDE1B ALDH1A1 471/4885TET2 2250/4885RECQL 209/4885

“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.