SCHEMBL25223907

SCHEMBL25223907

CCOc1ccc(-c2c(C(=O)O)sc3cc(F)ccc23)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCKDK O14874 1/20 0.48
▸ ESR1 P03372 2/20 0.41
▸ STING1 Q86WV6 1/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTGER4 P35408 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ TTR P02766 1/20 0.36
▸ MCL1 Q07820 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ EDNRB P24530 1/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35

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
SCHEMBL25229197 0.92 BCKDK (0.45) BCKDKESR1STING1HPGDPTGER4
SCHEMBL25233524 0.88 BCKDK (0.50) BCKDKESR1STING1DHODHMCL1
SCHEMBL25212935 0.88 BCKDK (0.47) BCKDKESR1STING1PTGS1PTGS2
SCHEMBL25205739 0.88 BCKDK (0.47) BCKDKESR1STING1PTGS1PTGS2
SCHEMBL25218434 0.86 BCKDK (0.51) BCKDKESR1STING1ALDH1A1HPGD
SCHEMBL25575297 0.85 BCKDK (0.47) BCKDKESR1STING1PTGS1PTGS2
SCHEMBL25203522 0.82 BCKDK (0.56) BCKDKESR1ALDH1A1MCL1TSHR
SCHEMBL31015935 0.82 BCKDK (0.56) BCKDKESR1ALDH1A1MCL1TSHR
SCHEMBL25225472 0.81 BCKDK (0.47) BCKDKESR1STING1ALDH1A1PTGER4
SCHEMBL25240228 0.81 BCKDK (0.49) BCKDKESR1STING1ALDH1A1HPGD

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 BCKDK 1/4885ESR1 2725/4885STING1 4389/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 BCKDK 1/4885ESR1 2725/4885STING1 4389/4885

“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.

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