SCHEMBL22845146

SCHEMBL22845146

O=C(O)c1sc2c(F)c(Cl)sc2c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.39
BCKDK O14874 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
DAO P14920 4/20 0.32
MCL1 Q07820 3/20 0.32
STING1 Q86WV6 2/20 0.32
MAPK1 P28482 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL18701941 0.80 BCKDK (0.38) GPR35BCKDKALDH1A1HPGDTSHR
SCHEMBL18701613 0.74 BCKDK (0.44) GPR35BCKDKALDH1A1HPGDTSHR
SCHEMBL18701665 0.74 BCKDK (0.41) GPR35BCKDKALDH1A1HPGDTSHR
SCHEMBL22917717 0.73 BCKDK (0.45) GPR35BCKDKDAOMCL1STING1
SCHEMBL18701551 0.72 BCKDK (0.36) GPR35BCKDKALDH1A1HPGDTSHR
SCHEMBL22917718 0.72 GPR35 (0.49) GPR35BCKDKALDH1A1HPGDTSHR
SCHEMBL18701625 0.71 DAO (0.39) GPR35BCKDKALDH1A1HPGDTSHR
SCHEMBL18701692 0.71 BCKDK (0.46) GPR35BCKDKALDH1A1HPGDTSHR
SCHEMBL20893768 0.71 ALDH1A1 (0.42) GPR35BCKDKALDH1A1HPGDTSHR
SCHEMBL21858819 0.71 GPR35 (0.39) GPR35BCKDKALDH1A1HPGDTSHR

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 9 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-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
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 GPR35 3710/4885BCKDK 1/4885ALDH1A1 272/4885
US-11059833-B2 BCKDK inhibitors BCKDK, PDK4, PDK3 GPR35 3710/4885BCKDK 1/4885ALDH1A1 272/4885
US-11542270-B2 BCKDK inhibitors BCKDK, PDK4, PDK3 GPR35 3710/4885BCKDK 1/4885ALDH1A1 272/4885
US-20210024536-A1 BCKDK INHIBITORS BCKDK, PDK4, PDK3 GPR35 3710/4885BCKDK 1/4885ALDH1A1 272/4885

“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.