SCHEMBL25203522

SCHEMBL25203522

O=C(O)c1sc2cc(F)ccc2c1-c1ccc(F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCKDK O14874 2/20 0.56
▸ MCL1 Q07820 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ESR1 P03372 5/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SENP1 Q9P0U3 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TLR3 O15455 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RPA1 P27694 1/20 0.35
▸ NOTUM Q6P988 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
SCHEMBL31015935 1.00 BCKDK (0.56) BCKDKMCL1RXFP1ESR1RAB9A
SCHEMBL25208256 0.89 BCKDK (0.56) BCKDKMCL1RXFP1ESR1RAB9A
SCHEMBL25230271 0.88 BCKDK (0.56) BCKDKMCL1RXFP1ESR1RAB9A
SCHEMBL25231023 0.88 BCKDK (0.52) BCKDKMCL1RXFP1ESR1RAB9A
SCHEMBL25255060 0.88 MCL1 (0.57) BCKDKMCL1RXFP1RAB9ALMNA
SCHEMBL25208179 0.87 BCKDK (0.60) BCKDKMCL1RXFP1ESR1RAB9A
SCHEMBL25207408 0.86 BCKDK (0.50) BCKDKMCL1RXFP1ESR1RAB9A
SCHEMBL25235446 0.86 BCKDK (0.50) BCKDKMCL1RXFP1ESR1RAB9A
SCHEMBL25225082 0.86 BCKDK (0.43) BCKDKMCL1ESR1RAB9ALMNA
SCHEMBL31015991 0.86 BCKDK (0.43) BCKDKMCL1ESR1RAB9ALMNA

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 6 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
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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