SCHEMBL17856796

SCHEMBL17856796

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

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.88
▸ CHAT P28329 2/20 0.88
▸ NAA50 Q9GZZ1 2/20 0.88
▸ AURKA O14965 2/20 0.88
▸ KAT5 Q92993 2/20 0.88
▸ KAT2B Q92831 1/20 0.88
▸ CREBBP Q92793 1/20 0.71

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
SCHEMBL14124919 0.96 EP300 (0.86) EP300CHATNAA50AURKAKAT5
Coenzyme_A SCHEMBL8048120 0.95 AURKA (0.90) EP300CHATNAA50AURKAKAT5
SCHEMBL14124848 0.95 EP300 (0.86) EP300CHATNAA50AURKAKAT5
SCHEMBL14124844 0.95 EP300 (0.88) EP300CHATNAA50AURKAKAT5
SCHEMBL4315276 0.95 EP300 (0.90) EP300CHATNAA50AURKAKAT5
SCHEMBL30583247 0.95 EP300 (0.90) EP300CHATNAA50AURKAKAT5
SCHEMBL16216007 0.95 EP300 (0.89) EP300CHATNAA50AURKAKAT5
SCHEMBL16215999 0.95 EP300 (0.89) EP300CHATNAA50AURKAKAT5
SCHEMBL14124928 0.94 EP300 (0.86) EP300CHATNAA50AURKAKAT5
SCHEMBL16585400 0.94 NAA50 (0.84) EP300CHATNAA50AURKAKAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362614-A1 RECOMBINANT HOST CELLS FOR THE PRODUCTION OF MALONATE LYGOS, INC. (US) 2017-12-21 — — US disclosed
US-9816114-B2 Recombinant host cells for the production of malonate LYGOS, INC. (US) 2017-11-14 — — US disclosed
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA THE TEXAS A&M UNIVERSITY SYSTEM 2017-03-09 — — US disclosed
US-20160177345-A1 RECOMBINANT HOST CELLS FOR THE PRODUCTION OF MALONATE LYGOS, INC. 2016-06-23 — — 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 (2 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-20170362614-A1 RECOMBINANT HOST CELLS FOR THE PRODUCTION OF MALONATE ME1, MAL2, ME3 EP300 4075/4885CHAT 4633/4885NAA50 2396/4885
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT EP300 168/4885CHAT 924/4885NAA50 217/4885

“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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