SCHEMBL4368632

SCHEMBL4368632

CC(=O)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 0.91

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.90
CHAT P28329 2/20 0.84
EP300 Q09472 4/20 0.83
KAT5 Q92993 2/20 0.83
AURKA O14965 2/20 0.83
KAT2B Q92831 1/20 0.83
CREBBP Q92793 1/20 0.75

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
SCHEMBL24800603 1.00 NAA50 (0.90) NAA50CHATEP300KAT5AURKA
SCHEMBL13461662 1.00 NAA50 (0.90) NAA50CHATEP300KAT5AURKA
SCHEMBL27888712 1.00 NAA50 (0.90) NAA50CHATEP300KAT5AURKA
SCHEMBL28164093 1.00 NAA50 (0.90) NAA50CHATEP300KAT5AURKA
SCHEMBL60436 1.00 NAA50 (0.90) NAA50CHATEP300KAT5AURKA
SCHEMBL31690470 0.99 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
Acetone SCHEMBL27777287 0.99 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
Hydrogen Sulfide SCHEMBL25316691 0.99 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL29287784 0.99 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL31361751 0.99 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372411-A1 Methods and Compositions for Treatment of Microbiome Associated Disorders Pendulum Therapeutics, Inc. 2023-11-23 US disclosed
US-11781120-B2 Biosynthesis of polyketides Gonzalez, Ramon (US) 2023-10-10 US disclosed
US-11692207-B2 Enzymatic methods for butanol production NEWPEK S.A. DE C.V. (MX) 2023-07-04 US disclosed
WO-2022266723-A1 METHODS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2022-12-29 WO disclosed
US-20210222209-A1 ENZYMATIC METHODS FOR BUTANOL PRODUCTION NEWPEK S.A. DE C.V. (MX) 2021-07-22 US disclosed
EP-3452606-A1 ENZYMATIC METHODS FOR BUTANOL PRODUCTION Newpek S.A. De C.V. (MX) 2019-03-13 EP disclosed
US-9970037-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-15 US disclosed
WO-2017191483-A1 ENZYMATIC METHODS FOR BUTANOL PRODUCTION NEWPEK S.A. DE C.V. (MX) 2017-11-09 WO disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-9694090-B2 Process for preparing hyperpolarized substrates and method for MRI BRACCO IMAGING S.P.A. (IT) 2017-07-04 US disclosed
US-8981056-B2 Variant LovD polypeptide THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 US disclosed
US-8951754-B2 Methods and materials for making simvastatin and related compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed
US-20130096420-A1 Process For Preparing Hyperpolarized Substrates And Method For MRI BRACCO IMAGING S.P.A. (IT) 2013-04-18 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-20120315680-A1 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-13 US disclosed
US-20120276606-A1 RECOMBINANT MICROORGANISMS WITH 1,3-BUTANEDIOL-PRODUCING FUNCTION AND USES THEREOF DAICEL CORPORATION (JP) 2012-11-01 US disclosed
US-8288147-B2 Host cells for production of isoprenoid compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-10-16 US disclosed
US-20120190038-A1 LovD MUTANTS EXHIBITING IMPROVED PROPERTIES TOWARDS SIMVASTATIN SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 US disclosed
US-20110229958-A1 Host Cells for Production of Isoprenoid Compounds Amyris, Inc. 2011-09-22 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 (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-20230372411-A1 Methods and Compositions for Treatment of Microbiome Associated Disorders FABP2, FADS1, ELOVL1 NAA50 948/4885CHAT 514/4885EP300 1831/4885
US-20130096420-A1 Process For Preparing Hyperpolarized Substrates And Method For MRI HOGA1, HAMP, GLS2 NAA50 868/4885CHAT 1380/4885EP300 4088/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 NAA50 1314/4885CHAT 2115/4885EP300 3343/4885

“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.