Sugi Predict

Sugi Predict / Compounds / SCHEMBL21473320

SCHEMBL21473320

SCHEMBL21473320

Cc1cn(C2CC(N=[N+]=[N-])[C@@H](COP(=O)(O)S)O2)c(=O)[nH]c1=O

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.79
▸ POLA1 P09884 1/20 0.79
▸ POLD1 P28340 1/20 0.79
▸ TK1 P04183 6/20 0.72
▸ LMNA P02545 2/20 0.72
▸ TSHR P16473 2/20 0.72
▸ ALB P02768 1/20 0.72
▸ PKM P14618 1/20 0.72
▸ BLM P54132 1/20 0.72
▸ PMP22 Q01453 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ ABCG2 Q9UNQ0 3/20 0.69
▸ ABCB1 P08183 1/20 0.69
▸ BCHE P06276 1/20 0.58

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
SCHEMBL26189175 1.00 POLB (0.79) POLBPOLA1POLD1TK1LMNA
SCHEMBL30272183 1.00 POLB (0.79) POLBPOLA1POLD1TK1LMNA
Azidothymidine Monophosphate SCHEMBL14188505 0.93 POLB (0.83) POLBPOLA1POLD1TK1LMNA
Azidothymidine Monophosphate SCHEMBL13450790 0.93 POLB (0.83) POLBPOLA1POLD1TK1LMNA
Azidothymidine Monophosphate SCHEMBL15094301 0.93 POLB (0.83) POLBPOLA1POLD1TK1LMNA
SCHEMBL21067527 0.90 POLB (0.96) POLBPOLA1POLD1TK1LMNA
Zidovudine Triphosphate SCHEMBL23585776 0.88 POLB (1.00) POLBPOLA1POLD1TK1LMNA
Zidovudine Triphosphate SCHEMBL19808965 0.88 POLB (1.00) POLBPOLA1POLD1TK1LMNA
SCHEMBL13645135 0.88 POLB (0.75) POLBPOLA1POLD1TK1LMNA
SCHEMBL13987092 0.88 POLB (0.75) POLBPOLA1POLD1TK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 — — US disclosed
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2019-10-24 — — US disclosed
WO-2019200273-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-17 — — WO 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-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS POLB 1692/4885POLA1 2165/4885POLD1 2336/4885
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS POLB 2210/4885POLA1 2657/4885POLD1 2809/4885

“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.