SCHEMBL25217008

SCHEMBL25217008

Cc1cc(C)c(F)c(-c2c(C(=O)O)sc3cc(F)ccc23)c1F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 2/20 0.57
MCL1 Q07820 2/20 0.43
BCL2L1 Q07817 1/20 0.43
ESR1 P03372 6/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR35 Q9HC97 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
PTGS1 P23219 1/20 0.38
MAOB P27338 1/20 0.38
CASP3 P42574 1/20 0.38
GPER1 Q99527 1/20 0.38
RPA1 P27694 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
TLR3 O15455 1/20 0.37

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
SCHEMBL25575335 0.89 BCKDK (0.49) BCKDKMCL1BCL2L1ESR1KDM4E
SCHEMBL25257010 0.86 BCKDK (0.60) BCKDKMCL1BCL2L1ESR1KDM4E
SCHEMBL25207363 0.83 BCKDK (0.57) BCKDKMCL1BCL2L1ESR1KDM4E
SCHEMBL25231195 0.83 BCKDK (0.53) BCKDKMCL1BCL2L1ESR1KDM4E
SCHEMBL25575349 0.81 BCKDK (0.49) BCKDKMCL1BCL2L1ESR1KDM4E
SCHEMBL25203600 0.81 BCKDK (0.61) BCKDKMCL1BCL2L1ESR1KDM4E
SCHEMBL25225304 0.80 BCKDK (0.53) BCKDKMCL1BCL2L1ESR1KDM4E
SCHEMBL25205145 0.80 BCKDK (0.60) BCKDKMCL1BCL2L1ESR1KDM4E
SCHEMBL25232983 0.80 BCKDK (0.60) BCKDKMCL1BCL2L1KDM4ERAB9A
SCHEMBL31015979 0.80 BCKDK (0.50) BCKDKMCL1BCL2L1ESR1KDM4E

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 3 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

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 1/4885MCL1 2996/4885BCL2L1 1655/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 BCKDK 1/4885MCL1 2996/4885BCL2L1 1655/4885

“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.