Sugi Predict

Sugi Predict / Compounds / Acetone

Acetone

Acetone

SCHEMBL22733484

CC(C)=O.CN1CCCN(C)C1=O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.44
▸ BRD2 P25440 1/20 0.44
▸ MAPK1 P28482 1/20 0.36
▸ PER2 O15055 2/20 0.35
▸ INMT O95050 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CRY2 Q49AN0 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTT P42858 1/20 0.31

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
Acetone SCHEMBL19638241 0.89 MAPK1 (0.39) BRD4BRD2MAPK1CYP1A2TDP1
SCHEMBL82580 0.89 — —
SCHEMBL916157 0.86 BRD4 (0.50) BRD4BRD2PER2INMTCRY2
Fluoride SCHEMBL20741987 0.86 BRD4 (0.50) BRD4BRD2PER2INMTCRY2
Bromide SCHEMBL7186245 0.86 BRD4 (0.50) BRD4BRD2PER2INMTCRY2
SCHEMBL8272670 0.83 BRD4 (0.52) BRD4BRD2PER2INMTSMN1; SMN2
Benzene SCHEMBL7856891 0.81 BRD4 (0.46) BRD4BRD2PER2INMTCRY2
Cyclohexane SCHEMBL5696269 0.77 BRD4 (0.46) BRD4BRD2INMT
Hydrogen Peroxide SCHEMBL28763582 0.77 BRD4 (0.39) BRD4BRD2MAPK1PER2CRY2
Dimethyl Sulfoxide SCHEMBL5801799 0.77 BRD4 (0.42) BRD4BRD2PER2INMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-06 — — US disclosed
US-11535634-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-12-27 — — US disclosed
US-20200385407-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-12-10 — — US disclosed
WO-2020247054-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-12-10 — — 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 (3 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-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS BRD4 2197/4885BRD2 3128/4885MAPK1 4236/4885
US-11535634-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof DNPEP, DHPS, NPEPPS BRD4 2197/4885BRD2 3128/4885MAPK1 4236/4885
US-20200385407-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS BRD4 2197/4885BRD2 3128/4885MAPK1 4236/4885

“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.