SCHEMBL21787064

SCHEMBL21787064

Cc1cn([C@H]2C[C@@H](OCSSC(C)(C)CNC(=O)CCCCC3SCC4NC(=O)NC43)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.48
POLB P06746 2/20 0.45
POLA1 P09884 1/20 0.45
POLD1 P28340 1/20 0.45
PLCD1 P51178 1/20 0.40
TK1 P04183 3/20 0.39
DTYMK P23919 2/20 0.38

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
SCHEMBL21786921 1.00 F2 (0.48) F2POLBPOLA1POLD1PLCD1
SCHEMBL24913467 0.87 PLCD1 (0.45) F2PLCD1
SCHEMBL21786783 0.87 F2 (0.54) F2POLB
SCHEMBL19662403 0.87 F2 (0.54) F2POLB
SCHEMBL21786782 0.87 F2 (0.54) F2POLB
SCHEMBL21786887 0.87 PLCD1 (0.45) F2PLCD1
SCHEMBL21786892 0.87 PLCD1 (0.45) F2PLCD1
SCHEMBL19662605 0.87 PLCD1 (0.45) F2PLCD1
SCHEMBL21786781 0.87 POLB (0.52) POLBPOLA1POLD1TK1DTYMK
SCHEMBL21786890 0.86 POLG (0.45) F2POLBPLCD1

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 F2 4167/4885POLB 12/4885POLA1 126/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 F2 4229/4885POLB 11/4885POLA1 142/4885

“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.