SCHEMBL14728817

SCHEMBL14728817

CC(C)(C)OC(=O)NCCOc1ncccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
IDO1 P14902 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.41
PDK2 Q15119 1/20 0.41
CYP3A4 P08684 1/20 0.41
SCN9A Q15858 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
BCHE P06276 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL30131270 0.84 CA12 (0.49) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL14398975 0.82 ALDH1A1 (0.53) KDM4ECA12CA1CA2CA9
SCHEMBL593088 0.79 ALDH1A1 (0.51) CA12CA1CA2CA9IDO1
SCHEMBL31549292 0.78 CA12 (0.44) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL30102093 0.77 PDK2 (0.44) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL13266333 0.76 GAA (0.50) L3MBTL1CA12CA1CA2CA9
SCHEMBL15756423 0.76 CA12 (0.51) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL29420339 0.76 CA12 (0.51) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL6989294 0.75 CA12 (0.44) KDM4EL3MBTL1CA12CA1CA2
SCHEMBL6991837 0.75 KDM4E (0.45) KDM4EL3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358842-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. 2024-10-31 US disclosed
US-20240327411-A1 SIRT6 ACTIVATORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-10-03 US disclosed
WO-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 WO disclosed
WO-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 WO disclosed
EP-2744775-B1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO UNIV EMORY (US) 2018-03-07 EP disclosed
US-9402850-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2016-08-02 US disclosed
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US disclosed
US-9040567-B2 BAX agonist, compositions, and methods related thereto EMORY UNIVERSITY (US) 2015-05-26 US disclosed
US-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-06-26 US disclosed
WO-2013028543-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-02-28 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-20140178374-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BAX, BID, BAD KDM4E 3838/4885L3MBTL1 2411/4885CA12 3203/4885
US-20240327411-A1 SIRT6 ACTIVATORS SIRT6, SIRT1, SIRT2 KDM4E 1274/4885L3MBTL1 2178/4885CA12 4746/4885
US-20150250793-A1 BAX AGONIST, COMPOSITIONS, AND METHODS RELATED THERETO BAX, ANXA1, BAD KDM4E 2219/4885L3MBTL1 1001/4885CA12 3731/4885
US-20240358842-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS USP7, UBQLN1, UBQLN2 KDM4E 1942/4885L3MBTL1 291/4885CA12 4310/4885

“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.