SCHEMBL22324323

SCHEMBL22324323

C#CCOc1cc(C=O)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 7/20 0.50
HPGD P15428 4/20 0.50
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
VCAM1 P19320 1/20 0.45
ALDH3A1 P30838 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TTR P02766 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A3 P47895 1/20 0.40
FDPS P14324 1/20 0.38

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
SCHEMBL2462903 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL19214199 0.79 TSHR (0.50) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL10477067 0.79 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL15331745 0.79 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL19332292 0.78 ALDH1A1 (0.57) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL27841939 0.78 MAPT (0.61) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL20982802 0.77 FDPS (0.42) ALDH1A1HPGDLMNASMN1; SMN2HTT
SCHEMBL22324340 0.77 CA12 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2HTT
SCHEMBL22324348 0.77 TTR (0.45) ALDH1A1MAPTSMN1; SMN2HTTTTR
SCHEMBL29374370 0.77 CA12 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008065-B Glycyrrhetinic acid derivatives for the treatment of hyperkalemia 阿德利克斯股份有限公司 2025-03-11 CN disclosed
US-20240209019-A1 COMPOUNDS AND METHODS FOR TREATING HYPERKALEMIA ARDELYX, INC. (US) 2024-06-27 US disclosed
US-11858959-B2 Glycyrrhetinic acid derivatives for use in treating hyperkalemia ARDELYX, INC. (US) 2024-01-02 US disclosed
CN-114008065-A Glycyrrhetinic acid derivatives for treating hyperkalemia 阿德利克斯股份有限公司 2022-02-01 CN disclosed
EP-3921327-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA Ardelyx, Inc. (US) 2021-12-15 EP disclosed
WO-2020163642-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR USE IN TREATING HYPERKALEMIA ARDELYX, INC. (US) 2020-08-13 WO 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-20240209019-A1 COMPOUNDS AND METHODS FOR TREATING HYPERKALEMIA REN, NHERF1, KCNJ11 ALDH1A1 1308/4885MAPT 3747/4885HPGD 1427/4885
US-11858959-B2 Glycyrrhetinic acid derivatives for use in treating hyperkalemia HSD11B2, HSD11B1, NR3C2 ALDH1A1 822/4885MAPT 3972/4885HPGD 140/4885

“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.