SCHEMBL25229190

SCHEMBL25229190

COc1cc(F)c(-c2c(C(=O)O)sc3cc(F)ccc23)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCKDK O14874 2/20 0.55
▸ MIF P14174 2/20 0.40
▸ PMM2 O15305 1/20 0.40
▸ MPI P34949 1/20 0.40
▸ PHOSPHO1 Q8TCT1 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ PRNP P04156 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ESR1 P03372 4/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL31015982 1.00 BCKDK (0.55) BCKDKMIFPMM2MPIPHOSPHO1
SCHEMBL25255144 0.88 LMNA (0.44) BCKDKMIFPMM2MPIPHOSPHO1
SCHEMBL31015938 0.88 LMNA (0.44) BCKDKMIFPMM2MPIPHOSPHO1
SCHEMBL25203600 0.88 BCKDK (0.61) BCKDKRXFP1TSHRESR1MCL1
SCHEMBL25207363 0.86 BCKDK (0.57) BCKDKRXFP1ESR1MCL1BCL2L1
SCHEMBL31015866 0.85 BCKDK (0.50) BCKDKMIFPMM2MPIPHOSPHO1
SCHEMBL25205372 0.85 BCKDK (0.50) BCKDKMIFPMM2MPIPHOSPHO1
SCHEMBL25669090 0.85 BCKDK (0.58) BCKDKRXFP1ESR1MCL1BCL2L1
SCHEMBL25206962 0.85 BCKDK (0.67) BCKDKRXFP1TSHRESR1MCL1
SCHEMBL25205145 0.83 BCKDK (0.60) BCKDKMPIPHOSPHO1RXFP1TSHR

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 1/4885MIF 2218/4885PMM2 755/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 BCKDK 1/4885MIF 2218/4885PMM2 755/4885

“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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