SCHEMBL4368641

SCHEMBL4368641

CCC(=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 0.90

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
SCHEMBL502465 1.00 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL25252 1.00 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL27877871 1.00 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL27571436 1.00 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL26116845 1.00 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
Charcoal, Activated SCHEMBL1644250 0.99 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Benzene SCHEMBL27562050 0.99 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
Acetic Acid SCHEMBL876317 0.98 NAA50 (0.88) NAA50CHATEP300KAT5AURKA
Succinic Acid SCHEMBL23245911 0.98 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
Succinic Acid SCHEMBL30638868 0.98 NAA50 (0.85) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170159031-A1 POLYPEPTIDES FOR CARBON-CARBON BOND FORMATION AND USES THEREOF INVISTA North America S.à.r.l. 2017-06-08 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-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-20110318780-A1 ENZYMATIC MODIFICATION OF GLYCOPEPTIDES BIOGENERIX AG (DE) 2011-12-29 US disclosed
US-20110020311-A1 Therapy of multiple sclerosis, inflammatory neurological diseases and neurodegenerative diseases with 5'-deoxyadenosylcobalamin, growth hormone, immunomodulators, interleukins, other therapeutic agents, and physiotherapy BOUCHER JAMES LAYNE 2011-01-27 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-20110020311-A1 Therapy of multiple sclerosis, inflammatory neurological diseases and neurodegenerative diseases with 5'-deoxyadenosylcobalamin, growth hormone, immunomodulators, interleukins, other therapeutic agents, and physiotherapy ADA, ADORA2B, AHCY NAA50 1952/4885CHAT 268/4885EP300 2805/4885
US-20150218531-A1 VARIANT LovD POLYPEPTIDE FNTA, PCSK9, HMGCR NAA50 2505/4885CHAT 4224/4885EP300 4595/4885

“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.