SCHEMBL21787065

SCHEMBL21787065

CC(C)(CNC(=O)CCCCC1SCC2NC(=O)NC21)SSCOC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HLCS P50747 3/20 0.53
HINT1 P49773 1/20 0.48
F2 P00734 1/20 0.44
CHAT P28329 1/20 0.42
DTYMK P23919 1/20 0.42

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
SCHEMBL21787063 1.00 HLCS (0.53) HLCSHINT1F2CHATDTYMK
SCHEMBL21786782 0.91 F2 (0.54) HLCSF2
SCHEMBL19662403 0.91 F2 (0.54) HLCSF2
SCHEMBL21786783 0.91 F2 (0.54) HLCSF2
SCHEMBL19662094 0.87 POLG (0.45) HLCSF2
SCHEMBL21786895 0.87 POLG (0.45) HLCSF2
SCHEMBL21786890 0.87 POLG (0.45) HLCSF2
SCHEMBL21786889 0.87 P2RX3 (0.47) CHAT
SCHEMBL21787064 0.85 F2 (0.48) F2DTYMK
SCHEMBL21786921 0.85 F2 (0.48) F2DTYMK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT HLCS 1675/4885HINT1 250/4885F2 4167/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 HLCS 1651/4885HINT1 227/4885F2 4229/4885

“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.