SCHEMBL22845172

SCHEMBL22845172

C[Si](C)(C)c1c(F)sc2c(F)c(C(=O)O)sc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GPR35 Q9HC97 3/20 0.32

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
SCHEMBL22917823 0.72 GPR35 (0.32) GPR35
SCHEMBL22917821 0.70
SCHEMBL18701625 0.70 DAO (0.39) ALDH1A1HPGDTSHRGPR35
SCHEMBL22845146 0.68 GPR35 (0.39) ALDH1A1HPGDTSHRGPR35
SCHEMBL23397579 0.68 ALDH1A1 (0.45) ALDH1A1HPGDTSHRGPR35
SCHEMBL3914573 0.66 DAO (0.36) ALDH1A1HPGDTSHRGPR35
SCHEMBL22917718 0.66 GPR35 (0.49) ALDH1A1HPGDTSHRGPR35
SCHEMBL22845177 0.63
SCHEMBL26967223 0.62 GPR35 (0.37) GPR35
SCHEMBL18701645 0.61 DAO (0.32)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542270-B2 BCKDK inhibitors PFIZER INC. (US) 2023-01-03 US disclosed
US-11059833-B2 BCKDK inhibitors PFIZER INC. (US) 2021-07-13 US disclosed
US-11059833-B2 BCKDK inhibitors PFIZER INC. (US) 2021-07-13 US disclosed
US-20210087204-A1 BCKDK INHIBITORS PFIZER INC. (US) 2021-03-25 US disclosed
US-20210087204-A1 BCKDK INHIBITORS PFIZER INC. (US) 2021-03-25 US disclosed
US-20210024536-A1 BCKDK INHIBITORS PFIZER INC. (US) 2021-01-28 US disclosed
WO-2020261205-A1 THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID COMPOUNDS HAVING BCKDK INHIBITING ACTIVITY PFIZER INC. (US) 2020-12-30 WO 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 (4 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-20210087204-A1 BCKDK INHIBITORS BCKDK, PDK4, PDK3 ALDH1A1 272/4885HPGD 489/4885TSHR 3226/4885
US-11059833-B2 BCKDK inhibitors BCKDK, PDK4, PDK3 ALDH1A1 272/4885HPGD 489/4885TSHR 3226/4885
US-11542270-B2 BCKDK inhibitors BCKDK, PDK4, PDK3 ALDH1A1 272/4885HPGD 489/4885TSHR 3226/4885
US-20210024536-A1 BCKDK INHIBITORS BCKDK, PDK4, PDK3 ALDH1A1 272/4885HPGD 489/4885TSHR 3226/4885

“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.