SCHEMBL779563

SCHEMBL779563

C[C@@H](C(=O)OP(=O)(O)Cl)N(OCC(C)(C)C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 3/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 2/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL7795340 0.87 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNATP53KMT2A
SCHEMBL20856173 0.87 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNATP53KMT2A
SCHEMBL472178 0.85 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EMAPT
SCHEMBL20162506 0.85 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EMAPT
SCHEMBL20162548 0.85 KDM4E (0.34) SMN1; SMN2ALDH1A1LMNATP53KMT2A
SCHEMBL7030455 0.85 KDM4E (0.34) SMN1; SMN2ALDH1A1LMNATP53KMT2A
SCHEMBL7028386 0.83 PTGIR (0.39)
SCHEMBL22321965 0.83 KDM4E (0.36) SMN1; SMN2ALDH1A1LMNATP53KMT2A
SCHEMBL382026 0.83 KDM4E (0.36) SMN1; SMN2ALDH1A1LMNATP53KMT2A
SCHEMBL20162518 0.82 KDM4E (0.38) SMN1; SMN2ALDH1A1LMNATP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163096-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana plc (GB) 2025-05-22 US disclosed
US-12054510-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti-cancer compounds NuCana plc (GB) 2024-08-06 US disclosed
US-20220306675-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana plc (GB) 2022-09-29 US disclosed
US-11352387-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti-cancer compounds NuCana plc (GB) 2022-06-07 US disclosed
EP-3683225-A1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS Nucana PLC (GB) 2020-07-22 EP disclosed
US-20200181189-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana plc (GB) 2020-06-11 US disclosed
US-10570168-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti- cancer compounds NuCana plc (GB) 2020-02-25 US disclosed
EP-3224268-B1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana plc (GB) 2019-06-26 EP disclosed
EP-3224268-A1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NuCana BioMed Limited (GB) 2017-10-04 EP disclosed
US-20170253629-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NUCANA BIOMED LIMITED (GB) 2017-09-07 US disclosed
WO-2016083830-A1 NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS NUCANA BIOMED LIMITED (GB) 2016-06-02 WO disclosed
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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 (8 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-20220306675-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, ADORA2A SMN1; SMN2 2870/4885ALDH1A1 2246/4885LMNA 1393/4885
US-12054510-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti-cancer compounds MTAP, ADA, ADORA2A SMN1; SMN2 2913/4885ALDH1A1 2198/4885LMNA 1328/4885
US-11352387-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti-cancer compounds MTAP, RNMT, ADA SMN1; SMN2 2634/4885ALDH1A1 2162/4885LMNA 1196/4885
US-10570168-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti- cancer compounds MTAP, RNMT, ADA SMN1; SMN2 2634/4885ALDH1A1 2162/4885LMNA 1196/4885
US-20250163096-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, ADORA2A SMN1; SMN2 2870/4885ALDH1A1 2246/4885LMNA 1393/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 SMN1; SMN2 1718/4885ALDH1A1 2210/4885LMNA 2798/4885
US-20200181189-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, RNMT SMN1; SMN2 2591/4885ALDH1A1 2194/4885LMNA 1256/4885
US-20170253629-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, RNMT SMN1; SMN2 2591/4885ALDH1A1 2194/4885LMNA 1256/4885

“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.