SCHEMBL25233524

SCHEMBL25233524

COc1ccc(-c2c(C(=O)O)sc3cc(F)ccc23)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCKDK O14874 1/20 0.50
▸ STING1 Q86WV6 3/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ESR1 P03372 3/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CSNK1D P48730 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
SCHEMBL25224912 0.91 BCKDK (0.50) BCKDKSTING1HDAC6DHODHMCL1
SCHEMBL25223907 0.88 BCKDK (0.48) BCKDKSTING1ESR1DHODHMCL1
SCHEMBL25235446 0.86 BCKDK (0.50) BCKDKSTING1ESR1RAB9ALMNA
SCHEMBL25206198 0.86 BCKDK (0.50) BCKDKSTING1ESR1RAB9ALMNA
SCHEMBL25229197 0.85 BCKDK (0.45) BCKDKSTING1ESR1BCL2L1MCL1
SCHEMBL25209826 0.85 BCKDK (0.56) BCKDKSTING1RAB9ALMNAMAPK1
SCHEMBL25231195 0.84 BCKDK (0.53) BCKDKSTING1ESR1RAB9ABCL2L1
SCHEMBL25208192 0.84 BCKDK (0.54) BCKDKSTING1RAB9ALMNAMAPK1
SCHEMBL25203522 0.84 BCKDK (0.56) BCKDKESR1RAB9ALMNABCL2L1
SCHEMBL31015935 0.84 BCKDK (0.56) BCKDKESR1RAB9ALMNABCL2L1

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 1/4885STING1 4389/4885HDAC6 1268/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 BCKDK 1/4885STING1 4389/4885HDAC6 1268/4885

“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.

Send feedback