SCHEMBL25575154

SCHEMBL25575154

CCOC(=O)COc1cc(Cl)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.47
NLRP3 Q96P20 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 2/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
NOS2 P35228 1/20 0.43
MEN1 O00255 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2495570 0.92 ALDH1A1 (0.52) ALDH1A1TDP1L3MBTL1GAAKDM4E
SCHEMBL10272157 0.86 LMNA (0.51) ALDH1A1TDP1GAAKDM4EMAPT
SCHEMBL13247320 0.86 TDP1 (0.49) ALDH1A1TDP1L3MBTL1GAANLRP3
SCHEMBL8857861 0.84 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1GAAKDM4E
SCHEMBL30437174 0.84 FFAR1 (0.51) ALDH1A1GAANLRP3KDM4EMAPT
SCHEMBL25575149 0.84 FFAR1 (0.51) ALDH1A1GAANLRP3KDM4EMAPT
SCHEMBL4241405 0.81 TDP1 (0.59) TDP1MAPTCYP2C9HPGD
SCHEMBL11221531 0.81 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1GAAKDM4E
SCHEMBL4678021 0.81 KDM4E (0.54) TDP1L3MBTL1GAAKDM4EMAPT
SCHEMBL14026553 0.81 NPC1 (0.50) ALDH1A1TDP1L3MBTL1GAANLRP3

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 5 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
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 ALDH1A1 468/4885TDP1 2899/4885L3MBTL1 2796/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 ALDH1A1 468/4885TDP1 2899/4885L3MBTL1 2796/4885

“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.