SCHEMBL25237243

SCHEMBL25237243

COc1ccc(Cl)c(I)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 4/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
G6PD P11413 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1B Q00975 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
SCHEMBL12804391 0.83 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL30467584 0.83 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL7939404 0.80 HTR2A (0.47) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL19756643 0.78 HTR2A (0.46) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL24080364 0.78 MAPT (0.39) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL12957891 0.77 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL24724645 0.77 MEP1B (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL23723768 0.75 ALDH1A1 (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL27192441 0.75 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL6736267 0.75 HTR2A (0.44) HTR2AHTR2CHTR2BALDH1A1MEN1

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-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
WO-2023100061-A1 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE PFIZER INC. (US) 2023-06-08 WO disclosed
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US 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-12466803-B2 BCKDK inhibitors and/or degraders BCKDK, KHK, PDK4 HTR2A 4437/4885HTR2C 4301/4885HTR2B 4755/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 HTR2A 4437/4885HTR2C 4301/4885HTR2B 4755/4885

“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.