SCHEMBL22033166

SCHEMBL22033166

NC(CF)(CCc1ccc(O)cc1)C(=O)O.NC(CF)(CCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.47
ODC1 P11926 1/20 0.47
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRM2 Q14416 2/20 0.40
GRM3 Q14832 2/20 0.40
CA2 P00918 3/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40

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
SCHEMBL25596779 1.00 BLM (0.47) BLMODC1ESR1ESR2KDM4E
SCHEMBL22033167 0.84 ESR1 (0.39) BLMESR1ESR2KDM4EALDH1A1
SCHEMBL4245719 0.83 BLM (0.59) BLMODC1ESR1ESR2KDM4E
SCHEMBL4245716 0.83 BLM (0.59) BLMODC1ESR1ESR2KDM4E
SCHEMBL22033172 0.83 BLM (0.59) BLMODC1ESR1ESR2KDM4E
SCHEMBL22033168 0.81 F2RL1 (0.46) ODC1TAAR1
SCHEMBL7436157 0.77 BLM (0.51) BLMESR1ESR2KDM4EALDH1A1
SCHEMBL25596239 0.77 BLM (0.47) BLMESR1ESR2KDM4EALDH1A1
SCHEMBL31563005 0.76 BLM (0.69) BLMESR1ESR2KDM4EALDH1A1
SCHEMBL14818917 0.74 ARG1 (0.49) BLMESR1KDM4EALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME SENDA BIOSCIENCES INC (US) 2023-06-15 US disclosed
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE SENDA BIOSCIENCES, INC. 2022-02-17 US disclosed
EP-3891122-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE Senda Biosciences, Inc. (US) 2021-10-13 EP disclosed
WO-2020118163-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE KINTAI THERAPEUTICS, INC. (US) 2020-06-11 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-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE DDC, DDT, DDO BLM 2619/4885ODC1 8/4885ESR1 4655/4885
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME COMT, SNCA, PARK7 BLM 3756/4885ODC1 273/4885ESR1 4421/4885

“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.