SCHEMBL13875657

SCHEMBL13875657

O=C(CNP(=O)(Cl)Oc1ccccc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
ELANE P08246 2/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KLK1 P06870 1/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
PRTN3 P24158 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.44
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 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
SCHEMBL13875648 0.84 BTN3A1 (0.56) ALDH1A1SMN1; SMN2LMNA
SCHEMBL14044811 0.82 BTN3A1 (0.53) L3MBTL1MEN1KMT2AHTT
SCHEMBL28445426 0.81 SRC (0.46) L3MBTL1MAPK1MEN1KMT2AHTT
SCHEMBL13622273 0.80 BTN3A1 (0.44) L3MBTL1MEN1KMT2A
SCHEMBL19650266 0.78 BTN3A1 (0.57) ELANEMAPTMEN1KMT2AHTT
SCHEMBL10579152 0.76 ALDH1A1 (0.52) ALDH1A1ELANESMN1; SMN2MAPTGAA
SCHEMBL18961988 0.76 ELANE (0.54) ALDH1A1ELANETP53KLK1PRTN3
SCHEMBL12621310 0.76 ELANE (0.54) ALDH1A1ELANETP53KLK1PRTN3
SCHEMBL12621327 0.76 ELANE (0.48) ALDH1A1ELANETP53SMN1; SMN2KLK1
SCHEMBL17340249 0.76 ELANE (0.48) ALDH1A1ELANETP53SMN1; SMN2KLK1

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 15 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
WO-2020201751-A1 SALT OF TRIPHOSPHATE PHOSPHORAMIDATES OF NUCLEOTIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2020-10-08 WO 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-2017098252-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES AND OF THE GEMCITABINE PRODRUG NUC-1031 NUCANA BIOMED LIMITED (GB) 2017-06-15 WO 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
US-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS PHARMASSET, INC. (US) 2009-04-16 US disclosed
US-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS PHARMASSET, INC. (US) 2009-04-16 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 ALDH1A1 2246/4885L3MBTL1 725/4885MAPK1 2414/4885
US-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS TYMP, DTYMK, TYMS ALDH1A1 3512/4885L3MBTL1 2350/4885MAPK1 2197/4885
US-12054510-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti-cancer compounds MTAP, ADA, ADORA2A ALDH1A1 2198/4885L3MBTL1 741/4885MAPK1 2511/4885
US-11352387-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti-cancer compounds MTAP, RNMT, ADA ALDH1A1 2162/4885L3MBTL1 725/4885MAPK1 2565/4885
US-10570168-B2 2′ and/or 5′ amino-acid ester phosphoramidate 3′-deoxy adenosine derivatives as anti- cancer compounds MTAP, RNMT, ADA ALDH1A1 2162/4885L3MBTL1 725/4885MAPK1 2565/4885
US-20250163096-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, ADORA2A ALDH1A1 2246/4885L3MBTL1 725/4885MAPK1 2414/4885
US-20200181189-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, RNMT ALDH1A1 2194/4885L3MBTL1 712/4885MAPK1 2406/4885
US-20170253629-A1 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS MTAP, ADA, RNMT ALDH1A1 2194/4885L3MBTL1 712/4885MAPK1 2406/4885

“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.