SCHEMBL21786773

SCHEMBL21786773

BC(C)(C)SSCO[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)C(C)N

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.55
POLB P06746 2/20 0.48
POLA1 P09884 1/20 0.45
POLD1 P28340 1/20 0.45
TYMS P04818 1/20 0.43

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
SCHEMBL21786791 0.87 POLB (0.61) TK1POLBPOLA1POLD1TYMS
SCHEMBL21787188 0.86 TK1 (0.49) TK1POLBPOLA1POLD1TYMS
SCHEMBL19662702 0.83 TK1 (0.66) TK1POLBPOLA1POLD1TYMS
SCHEMBL21787100 0.82 TK1 (0.52) TK1
SCHEMBL21787146 0.81 POLB (0.52) POLB
SCHEMBL24913490 0.81 POLB (0.62) TK1POLBPOLA1POLD1TYMS
SCHEMBL21787053 0.81 POLB (0.47) POLBPOLA1
SCHEMBL23734160 0.80 POLB (0.63) TK1POLBPOLA1POLD1TYMS
SCHEMBL19663297 0.80 POLB (0.63) TK1POLBPOLA1POLD1TYMS
SCHEMBL23734161 0.80 POLB (0.63) TK1POLBPOLA1POLD1TYMS

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 TK1 254/4885POLB 12/4885POLA1 126/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 TK1 244/4885POLB 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.