SCHEMBL822955

SCHEMBL822955

CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 1.00
CHAT P28329 2/20 0.87
EP300 Q09472 3/20 0.86
KAT5 Q92993 2/20 0.86
AURKA O14965 2/20 0.86
KAT2B Q92831 1/20 0.86
CREBBP Q92793 1/20 0.76

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
SCHEMBL29761309 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL4356277 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL29518048 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL6086 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL17656841 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL9995362 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL31126614 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL19018640 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL14593550 1.00 NAA50 (1.00) NAA50CHATEP300KAT5AURKA
SCHEMBL29761307 1.00 NAA50 (1.00) 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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987602-B2 Malonate transporters CB THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20240026392-A1 BIOSYNTHESIS OF CANNABINOIDS AND CANNABINOID PRECURSORS GINKGO BIOWORKS, INC. (US) 2024-01-25 US disclosed
US-20230383319-A1 ITERATIVE PLATFORM FOR THE SYNTHESIS OF ALPHA FUNCTIONALIZED PRODUCTS Gonzalez, Ramon (US) 2023-11-30 US disclosed
US-20230372411-A1 Methods and Compositions for Treatment of Microbiome Associated Disorders Pendulum Therapeutics, Inc. 2023-11-23 US disclosed
US-11802280-B2 Enzyme for synthesizing hydroxyl acetaldehyde and/or 1,3-dihydroxyacetone by catalyzing formaldehyde, and applications thereof TIANJIN INSTITUTE OF INDUSTRIAL BIOTECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-31 US disclosed
US-20230340446-A1 BIOSYNTHESIS OF CANNABINOIDS AND CANNABINOID PRECURSORS GINKGO BIOWORKS, INC. (US) 2023-10-26 US disclosed
US-11781120-B2 Biosynthesis of polyketides Gonzalez, Ramon (US) 2023-10-10 US disclosed
US-11697830-B2 Iterative platform for the synthesis of alpha functionalized products Gonzalez, Ramon (US) 2023-07-11 US disclosed
US-11692207-B2 Enzymatic methods for butanol production NEWPEK S.A. DE C.V. (MX) 2023-07-04 US disclosed
US-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 US disclosed
US-20120003233-A1 HUMAN DIACYLGLYCEROL ACYLTRANSFERASE 2 (DGAT2) FAMILY MEMBERS AND USES THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-05 US disclosed
US-20120004260-A1 INHIBITION OF FATTY ACID SYNTHESIS BY IODO-NITROBENZAMIDE COMPOUNDS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20110243855-A1 METHOD AND IMAGING MEDIUM FOR USE IN THE METHOD GE HEALTHCARE LIMITED (GB) 2011-10-06 US disclosed
US-20110229958-A1 Host Cells for Production of Isoprenoid Compounds Amyris, Inc. 2011-09-22 US disclosed
US-20110217412-A1 CHOLESTEROL LOWERING SUPPLEMENT AND LOW CHOLESTEROL EGG PRODUCED BY USING THE SAME JINIS BIOPHARMACEUTICALS CO. (KR) 2011-09-08 US disclosed
US-20110212954-A1 ALPHA-LIPOIC ACID DERIVATIVES AND THEIR USE IN DRUG PREPARATION ISTITUTO BIOCHIMICO NAZIONALE SAVIO S.R.L. (IT) 2011-09-01 US disclosed
WO-2011087821-A2 MICROBIAL PRODUCTION OF MULTI-CARBON CHEMICALS AND FUELS FROM WATER AND CARBON DIOXIDE USING ELECTRIC CURRENT UNIVERSITY OF MASSACHUSETTS (US) 2011-07-21 WO disclosed
US-20110033387-A1 METHOD OF DETERMINATION OF PDH ACTIVITY AND IMAGING MEDIA FOR USE IN SAID METHOD GE HEALTHCARE LIMITED (GB) 2011-02-10 US disclosed
US-20110000125-A1 PRODUCTION OF FATTY ALCOHOLS WITH FATTY ALCOHOL FORMING ACYL-COA REDUCTASES (FAR) CODEXIS, INC. (US) 2011-01-06 US disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 US 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 (7 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-20230372411-A1 Methods and Compositions for Treatment of Microbiome Associated Disorders FABP2, FADS1, ELOVL1 NAA50 948/4885CHAT 514/4885EP300 1831/4885
US-20120003233-A1 HUMAN DIACYLGLYCEROL ACYLTRANSFERASE 2 (DGAT2) FAMILY MEMBERS AND USES THEREFOR DGAT2, DGAT1, SOAT2 NAA50 555/4885CHAT 2397/4885EP300 2563/4885
US-20110033387-A1 METHOD OF DETERMINATION OF PDH ACTIVITY AND IMAGING MEDIA FOR USE IN SAID METHOD PC, PDHB, PDHA2 NAA50 1710/4885CHAT 755/4885EP300 1440/4885
US-20110243855-A1 METHOD AND IMAGING MEDIUM FOR USE IN THE METHOD ACADM, NEFM, RXFP3 NAA50 153/4885CHAT 56/4885EP300 1293/4885
US-20110212954-A1 ALPHA-LIPOIC ACID DERIVATIVES AND THEIR USE IN DRUG PREPARATION ALOX12, ALOX15, ALOX15B NAA50 1078/4885CHAT 1628/4885EP300 3470/4885
US-20110000125-A1 PRODUCTION OF FATTY ALCOHOLS WITH FATTY ALCOHOL FORMING ACYL-COA REDUCTASES (FAR) FAR1, ACADM, FASN NAA50 175/4885CHAT 1813/4885EP300 1194/4885
US-20120004260-A1 INHIBITION OF FATTY ACID SYNTHESIS BY IODO-NITROBENZAMIDE COMPOUNDS AND METHODS OF TREATMENT THEREOF FASN, PARP12, PARP2 NAA50 963/4885CHAT 4567/4885EP300 1186/4885

“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.