SCHEMBL17997995

SCHEMBL17997995

C[C@H](C(=O)O)C(=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 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.86
▸ CHAT P28329 2/20 0.82
▸ EP300 Q09472 2/20 0.81
▸ AURKA O14965 2/20 0.81
▸ KAT2B Q92831 1/20 0.81
▸ KAT5 Q92993 1/20 0.81

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
SCHEMBL29457604 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL28671996 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL29378271 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL12934617 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL4286414 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL30582704 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL187858 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL188315 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL25429 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B
SCHEMBL30074506 1.00 NAA50 (0.86) NAA50CHATEP300AURKAKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160230198-A1 Methylmalonic acid compositions, biological methods for making same, and microorganisms for making same GeneSys Consulting, LLC (US) 2016-08-11 — — 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 (1 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-20160230198-A1 Methylmalonic acid compositions, biological methods for making same, and microorganisms for making same ME1, MGAM, ME3 NAA50 1442/4885CHAT 2804/4885EP300 4537/4885

“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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