Tributyrin

Tributyrin

SCHEMBL14638860

CC(=O)OCC(COC(C)=O)OC(C)=O.CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
PRKCA P17252 4/20 0.56
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCD Q05655 1/20 0.51
LPAR3 Q9UBY5 7/20 0.49
LPAR1 Q92633 4/20 0.49
ENPP2 Q13822 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LPAR2 Q9HBW0 2/20 0.48

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
SCHEMBL2401659 0.96 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24704010 0.96 ALDH1A1 (0.64) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL14976537 0.94 ALDH1A1 (0.54) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL3193751 0.93 ALDH1A1 (0.58) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL1097712 0.90 ALDH1A1 (0.56) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Triacetin SCHEMBL21828461 0.90 PRKCA (0.53) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL601928 0.89 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL23825 0.89 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL23219297 0.89 LPAR3 (0.58) ALDH1A1LMNAPRKCALPAR3LPAR1
SCHEMBL13208745 0.88 PRKCA (0.58) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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-11918550-B2 Sensitization of cancer cells to differentiation therapy with mitochondrial uncoupler niclosamide ethanolamine THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-03-05 US disclosed
US-11684601-B2 Treatment of cancer with combinations of agents THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-06-27 US disclosed
US-20220175704-A1 SENSITIZATION OF CANCER CELLS TO DIFFERENTIATION THERAPY WITH MITOCHONDRIAL UNCOUPLER NICLOSAMIDE ETHANOLAMINE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-06-09 US disclosed
US-10765654-B2 Methods and compounds for treating cancer UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2020-09-08 US disclosed
US-20200261393-A1 TREATMENT OF CANCER WITH COMBINATIONS OF AGENTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-08-20 US disclosed
US-20140142152-A1 METHODS AND COMPOUNDS FOR TREATING CANCER UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2014-05-22 US disclosed
WO-2013013061-A1 METHODS AND COMPOUNDS FOR TREATING CANCER UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2013-01-24 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-20220175704-A1 SENSITIZATION OF CANCER CELLS TO DIFFERENTIATION THERAPY WITH MITOCHONDRIAL UNCOUPLER NICLOSAMIDE ETHANOLAMINE RARS2, NME4, ALDH2 ALDH1A1 206/4885LMNA 3685/4885PRKCA 2494/4885
US-20140142152-A1 METHODS AND COMPOUNDS FOR TREATING CANCER UGCG, LPCAT1, MGMT ALDH1A1 400/4885LMNA 796/4885PRKCA 2985/4885
US-10765654-B2 Methods and compounds for treating cancer UGCG, LPCAT1, MGMT ALDH1A1 400/4885LMNA 796/4885PRKCA 2985/4885
US-11918550-B2 Sensitization of cancer cells to differentiation therapy with mitochondrial uncoupler niclosamide ethanolamine RARS2, NME4, ALDH2 ALDH1A1 206/4885LMNA 3685/4885PRKCA 2494/4885

“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.