SCHEMBL25240228

SCHEMBL25240228

CCc1c(F)ccc(-c2c(C(=O)O)sc3cc(F)ccc23)c1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCKDK O14874 2/20 0.49
▸ MCL1 Q07820 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ESR1 P03372 5/20 0.36
▸ SENP1 Q9P0U3 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TLR3 O15455 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ STING1 Q86WV6 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL25208817 0.90 MCL1 (0.50) BCKDKMCL1RXFP1BCL2L1RAB9A
SCHEMBL25575337 0.88 BCKDK (0.49) BCKDKMCL1RXFP1ESR1SENP1
Ammonia Solution, Strong SCHEMBL31015869 0.87 BCKDK (0.48) BCKDKMCL1RXFP1ESR1SENP1
Ammonia Solution, Strong SCHEMBL25210526 0.87 BCKDK (0.48) BCKDKMCL1RXFP1ESR1SENP1
SCHEMBL25231023 0.87 BCKDK (0.52) BCKDKMCL1RXFP1ESR1SENP1
SCHEMBL31015935 0.85 BCKDK (0.56) BCKDKMCL1RXFP1ESR1SENP1
SCHEMBL25203522 0.85 BCKDK (0.56) BCKDKMCL1RXFP1ESR1SENP1
SCHEMBL25205739 0.84 BCKDK (0.47) BCKDKMCL1RXFP1ESR1SENP1
SCHEMBL25235446 0.82 BCKDK (0.50) BCKDKMCL1RXFP1ESR1BCL2L1
SCHEMBL25230271 0.82 BCKDK (0.56) BCKDKMCL1RXFP1ESR1SENP1

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 1/4885MCL1 2996/4885RXFP1 3315/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 BCKDK 1/4885MCL1 2996/4885RXFP1 3315/4885

“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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