SCHEMBL25211925

SCHEMBL25211925

COC(=O)c1sc2cc(F)ccc2c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 1/20 0.49
IKBKB O14920 1/20 0.45
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
TNF P01375 1/20 0.43
NR2F2 P24468 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
KLF5 Q13887 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 3/20 0.42

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
SCHEMBL31015908 1.00 BCKDK (0.49) BCKDKIKBKBRAB9ALMNAMAPK1
SCHEMBL4654000 0.84 BCKDK (0.50) BCKDKIKBKBRAB9ALMNAMAPK1
SCHEMBL693146 0.82 BCKDK (0.68) BCKDKRAB9ALMNAMAPK1KDM4E
SCHEMBL25212927 0.82 RXFP1 (0.51) BCKDKRAB9ALMNAMAPK1KDM4E
SCHEMBL2955131 0.82 ALDH1A1 (0.64) BCKDKIKBKBMAPK1KDM4EHPGD
SCHEMBL25208220 0.82 BCKDK (0.49) BCKDKIKBKBRAB9ALMNAMAPK1
SCHEMBL31015992 0.82 BCKDK (0.49) BCKDKIKBKBRAB9ALMNAMAPK1
SCHEMBL31015960 0.82 RXFP1 (0.51) BCKDKRAB9ALMNAMAPK1KDM4E
SCHEMBL31305767 0.78 LMNA (0.69) IKBKBLMNAMAPK1KDM4EHPGD
SCHEMBL31305775 0.78 LMNA (0.69) IKBKBLMNAMAPK1KDM4EHPGD

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 7 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
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
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US 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 BCKDK 1/4885IKBKB 303/4885RAB9A 4347/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 BCKDK 1/4885IKBKB 303/4885RAB9A 4347/4885

“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.