SCHEMBL25575149

SCHEMBL25575149

CCOC(=O)COc1cc(F)ccc1C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
NLRP3 Q96P20 1/20 0.45
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
AR P10275 1/20 0.43
SQOR Q9Y6N5 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ABCB1 P08183 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL30437174 1.00 FFAR1 (0.51) FFAR1FFAR4NLRP3USP2KDM4E
SCHEMBL13603359 0.84 FFAR1 (0.50) FFAR1FFAR4NLRP3USP2ALDH1A1
SCHEMBL25667386 0.84 FFAR1 (0.45) FFAR1FFAR4KDM4ETSHRPTGDR2
SCHEMBL25575154 0.84 ALDH1A1 (0.49) NLRP3KDM4EALDH1A1HPGDSQOR
SCHEMBL18702790 0.83 ALDH1A1 (0.60) NLRP3USP2KDM4ETSHRALDH1A1
SCHEMBL25235502 0.81 FFAR1 (0.64) FFAR1FFAR4GLAPTGDR2HPGD
SCHEMBL7317473 0.81 FFAR1 (0.51) FFAR1FFAR4AR
SCHEMBL14026553 0.81 NPC1 (0.50) NLRP3KDM4ETSHRPTGDR2ALDH1A1
SCHEMBL13247320 0.81 TDP1 (0.49) NLRP3KDM4EGLATSHRALDH1A1
SCHEMBL5841619 0.79 NLRP3 (0.43) NLRP3USP2KDM4EGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 FFAR1 423/4885FFAR4 910/4885NLRP3 3160/4885

“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.