SCHEMBL380100

SCHEMBL380100

CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.83
▸ EP300 Q09472 3/20 0.80
▸ CHAT P28329 2/20 0.80
▸ AURKA O14965 2/20 0.80
▸ KAT5 Q92993 2/20 0.80
▸ KAT2B Q92831 1/20 0.80
▸ CREBBP Q92793 1/20 0.70

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
SCHEMBL2506879 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL1333343 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL31475488 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL2317294 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL380634 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL25273107 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL1332729 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL11026148 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL2510648 1.00 NAA50 (0.83) NAA50EP300CHATAURKAKAT5
SCHEMBL30558687 0.99 NAA50 (0.84) NAA50EP300CHATAURKAKAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12123045-B2 Genetically modified cells that produce C6-C10 fatty acid derivatives CARGILL, INCORPORATED (US) 2024-10-22 — — US disclosed
US-20220403425-A1 GENETICALLY MODIFIED CELLS THAT PRODUCE C6-C10 FATTY ACID DERIVATIVES CARGILL, INCORPORATED (US) 2022-12-22 — — US disclosed
US-11345938-B2 Genetically modified cells that produce C6-C10 fatty acid derivatives CARGILL, INCORPORATED (US) 2022-05-31 — — US disclosed
WO-2018144701-A2 GENETICALLY MODIFIED CELLS THAT PRODUCE C6-C10 FATTY ACID DERIVATIVES CARGILL INCORPORATED (US) 2018-08-09 — — WO disclosed
US-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 — — US disclosed
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 — — US disclosed
US-20120191434-A1 ARTICLES OF MANUFACTURE AND METHODS FOR MODELING CHINESE HAMSTER OVARY (CHO) CELL METABOLISM GT LIFE SCIENCES, INC. (US) 2012-07-26 — — US disclosed
EP-2408927-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-01-25 — — EP disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 — — US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 — — US disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 — — WO disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 — — EP disclosed
US-20100143940-A1 (3R)-HYDROXYACYL-ACP DEHYDRATASE ENZYMES USED IN THE BIOSYNTHESIS OF MYCOLIC ACIDS AND USE OF SAME FOR SCREENING ANTIBIOTICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-10 — — US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 — — 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-20100143940-A1 (3R)-HYDROXYACYL-ACP DEHYDRATASE ENZYMES USED IN THE BIOSYNTHESIS OF MYCOLIC ACIDS AND USE OF SAME FOR SCREENING ANTIBIOTICS COASY, RIMKLA, HAGH NAA50 228/4885EP300 1287/4885CHAT 1154/4885

“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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