SCHEMBL23833539

SCHEMBL23833539

COC(=O)C(C(C)=O)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
GSK3B P49841 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4748842 0.87 MMP8 (0.44) HTTALDH1A1TSHRMAPTADRB2
SCHEMBL23833607 0.83 HTT (0.46) HTTALDH1A1TSHRMAPTADRB2
SCHEMBL6317665 0.81 KCNA5 (0.41) ALDH1A1MAPTGSK3BMEN1KMT2A
SCHEMBL23833545 0.80 TSHR (0.43) HTTALDH1A1TSHRADRB2ADRB1
SCHEMBL8224397 0.79 HTT (0.48) HTTTSHRMAPTADRB2ADRB1
SCHEMBL1565766 0.79 HTT (0.48) HTTALDH1A1TSHRMAPTADRB2
SCHEMBL1565767 0.79 HTT (0.48) HTTALDH1A1TSHRMAPTADRB2
SCHEMBL19986356 0.79 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL5077987 0.78 GSK3B (0.47) HTTALDH1A1TSHRMAPTADRB2
SCHEMBL14448526 0.78 HTT (0.47) HTTALDH1A1TSHRMAPTADRB2

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-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
EP-4121426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE Akebia Therapeutics Inc. (US) 2023-01-25 EP disclosed
CN-115515948-A PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2022-12-23 CN disclosed
WO-2021188938-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2021188938-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 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 (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-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 HTT 3542/4885ALDH1A1 963/4885TSHR 4420/4885

“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.