SCHEMBL3242015

SCHEMBL3242015

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCl

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.89
▸ CHAT P28329 2/20 0.85
▸ EP300 Q09472 3/20 0.84
▸ KAT5 Q92993 2/20 0.84
▸ AURKA O14965 2/20 0.84
▸ KAT2B Q92831 1/20 0.84
▸ CREBBP Q92793 1/20 0.74

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
SCHEMBL28290381 1.00 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL4287977 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL18038084 0.97 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL27571436 0.97 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL26116845 0.97 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL502465 0.97 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL4368641 0.97 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL27877871 0.97 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL25252 0.97 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
Charcoal, Activated SCHEMBL1644250 0.96 NAA50 (0.88) NAA50CHATEP300KAT5AURKA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745163-B2 contacting sample with a reagent comprising a thiol-containing compound, a halo-acetyl-CoA or a halo-acetyl-pantetheine, and an acetyltransferase under conditions suitable for acetyltransferase enzyme activity then identifying a substrate that has formed a base-stable covalent bond to the reagent ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-06-29 — — US claimed
EP-1789029-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION Interstitial Therapeutics (CH) 2007-05-30 — — EP claimed
WO-2006024489-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 — — WO claimed
WO-2006024491-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 — — WO claimed
WO-2006024490-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 — — WO claimed
WO-2005044077-A2 ASSAY FOR ACETYLTRANSFERASES AND ACETYLTRANSFERASE SUBSTRATES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2005-05-19 — — WO claimed
CN-109689051-B Use of inhibitors of mitochondrial activity for the treatment of acute myeloid leukemia with poor prognosis 蒙特利尔大学 2022-03-29 — — CN disclosed
US-11008362-B2 Malonyl-coenzyme A mimics as fatty acid synthase inhibitors and methods of use PURDUE RESEARCH FOUNDATION (US) 2021-05-18 — — US disclosed
US-10851393-B2 KAS-III free FA synthesis WILLIAM MARSH RICE UNIVERSITY (US) 2020-12-01 — — US disclosed
US-20200188361-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA UNIVERSITE DE MONTREAL (CA) 2020-06-18 — — US disclosed
US-20190192488-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA Université de Montréal (CA) 2019-06-27 — — US disclosed
EP-3493802-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA Université de Montréal (CA) 2019-06-12 — — EP disclosed
US-10186410-B2 Mass spectrometer, system comprising the same, and methods for determining isotopic anatomy of compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-01-22 — — US disclosed
EP-1789029-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION Interstitial Therapeutics (CH) 2007-05-30 — — EP disclosed
EP-1789030-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 — — EP disclosed
WO-2006024489-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 — — WO disclosed
WO-2006024491-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 — — WO disclosed
WO-2006024492-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 — — WO disclosed
WO-2006024490-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 — — WO disclosed
WO-2005044077-A2 ASSAY FOR ACETYLTRANSFERASES AND ACETYLTRANSFERASE SUBSTRATES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2005-05-19 — — 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-11008362-B2 Malonyl-coenzyme A mimics as fatty acid synthase inhibitors and methods of use COASY, FASN, FADS1 NAA50 595/4885CHAT 2856/4885EP300 900/4885
US-20200188361-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA NPM1, TFAM, NDUFAF1 NAA50 1701/4885CHAT 4654/4885EP300 1930/4885
US-20190192488-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA IDH2, TFAM, NUTF2 NAA50 1723/4885CHAT 4796/4885EP300 1401/4885

“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.

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