SCHEMBL4367366

SCHEMBL4367366

CCCC(=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 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.88
▸ CHAT P28329 2/20 0.84
▸ EP300 Q09472 3/20 0.83
▸ KAT5 Q92993 2/20 0.83
▸ AURKA O14965 2/20 0.83
▸ KAT2B Q92831 1/20 0.83
▸ CREBBP Q92793 1/20 0.74

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
SCHEMBL60439 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL29425568 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL22361767 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL28130999 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
SCHEMBL4358381 1.00 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Phosphoric Acid SCHEMBL30705430 0.99 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Methane SCHEMBL18038085 0.99 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Methane SCHEMBL28198292 0.99 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL30464957 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL26923237 0.98 NAA50 (0.87) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692207-B2 Enzymatic methods for butanol production NEWPEK S.A. DE C.V. (MX) 2023-07-04 — — US 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-9694090-B2 Process for preparing hyperpolarized substrates and method for MRI BRACCO IMAGING S.P.A. (IT) 2017-07-04 — — US disclosed
US-20170029790-A1 VARIANT LovD POLYPEPTIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-02 — — US disclosed
US-20170022525-A1 METHOD FOR PRODUCING METHACRYLIC ACID ESTER AND NOVEL METHACRYLIC ACID ESTER SYNTHETASE MITSUBISHI RAYON CO., LTD. (JP) 2017-01-26 — — US disclosed
US-9499803-B2 Variant LovD polypeptide THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-22 — — US disclosed
US-20150218531-A1 VARIANT LovD POLYPEPTIDE INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-08-06 — — US disclosed
US-20150203884-A1 METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-07-23 — — 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-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-20120190038-A1 LovD MUTANTS EXHIBITING IMPROVED PROPERTIES TOWARDS SIMVASTATIN SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 — — 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-20170029790-A1 VARIANT LovD POLYPEPTIDE FNTA, PCSK9, HMGCR NAA50 2505/4885CHAT 4224/4885EP300 4595/4885
US-20150218531-A1 VARIANT LovD POLYPEPTIDE FNTA, PCSK9, HMGCR NAA50 2505/4885CHAT 4224/4885EP300 4595/4885
US-20130096420-A1 Process For Preparing Hyperpolarized Substrates And Method For MRI HOGA1, HAMP, GLS2 NAA50 868/4885CHAT 1380/4885EP300 4088/4885

“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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