SCHEMBL1808950

SCHEMBL1808950

CCON[C@@H](C)C(=O)OP(=O)(Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MAPT P10636 5/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1807498 0.87 CA1 (0.47) CA1CA2BCHEACHEALDH1A1
SCHEMBL1809484 0.86 NPC1 (0.50) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL1809936 0.86 CA1 (0.40) CA1CA2ALDH1A1CYP3A4TSHR
SCHEMBL1809147 0.85 HPGD (0.42) ALDH1A1MAPK1TSHRMAPTKMT2A
SCHEMBL3971351 0.84 BTN3A1 (0.41) L3MBTL1LMNA
SCHEMBL873273 0.84 BTN3A1 (0.41) L3MBTL1LMNA
SCHEMBL1808429 0.82 ALDH1A1 (0.37) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL12621313 0.77 CA1 (0.50) CA1CA2BCHEACHEALDH1A1
SCHEMBL3970116 0.76 TSHR (0.39) TSHRL3MBTL1RECQL
SCHEMBL3970115 0.76 TSHR (0.39) TSHRL3MBTL1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904365-B1 CHEMICAL COMPOUNDS NuCana plc (GB) 2022-09-07 EP disclosed
EP-3904365-A1 CHEMICAL COMPOUNDS NuCana plc (GB) 2021-11-03 EP disclosed
US-RE47589-E1 Phosphoramidate compounds and methods of use NuCana plc (GB) 2019-09-03 US disclosed
EP-3486251-A1 CHEMICAL COMPOUNDS NuCana plc (GB) 2019-05-22 EP disclosed
EP-3040340-B1 CHEMICAL COMPOUNDS NuCana plc (GB) 2018-11-14 EP disclosed
EP-3031812-B1 CHEMICAL COMPOUNDS NuCana plc (GB) 2018-08-01 EP disclosed
US-10022390-B2 Phosphoramidate derivatives of 5-fluoro-2′-deoxyuridine for use in the treatment of cancer NuCana plc (GB) 2018-07-17 US disclosed
EP-2955190-B1 Chemical compounds NuCana plc (GB) 2018-03-28 EP disclosed
EP-1646639-B1 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS NUCANA BIOMED LTD (GB) 2016-08-17 EP disclosed
EP-3040340-A1 CHEMICAL COMPOUNDS NuCana BioMed Limited (GB) 2016-07-06 EP disclosed
US-9221866-B2 Phosphoramidate derivatives of 5-fluoro-2′-deoxyuridine for use in the treatment of cancer NUCANA BIOMED LIMITED (GB) 2015-12-29 US disclosed
EP-2955190-A2 Chemical compounds NuCana BioMed Limited (GB) 2015-12-16 EP disclosed
US-20150183817-A1 PHOSPHORAMIDATE DERIVATIVES OF 5-FLUORO-2'-DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER NuCana plc (GB) 2015-07-02 US disclosed
US-8933053-B2 Phosphoramidate derivatives of 5-fluoro-2′-deoxyuridine for use in the treatment of cancer NUCANA BIOMED LIMITED (GB) 2015-01-13 US disclosed
US-20140057866-A1 PHOSPHORAMIDATE DERIVATIVES OF 5 - FLUORO - 2` - DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER NuCana plc (GB) 2014-02-27 US disclosed
US-7951787-B2 Phosphoramidate compounds and methods of use CARDIFF PROTIDES LIMITED (GB) 2011-05-31 US disclosed
US-20060142238-A1 Chemical compounds NuCana plc (GB) 2006-06-29 US disclosed
EP-1646639-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS University College Cardiff Consultants, Ltd. (GB) 2006-04-19 EP disclosed
WO-2005012327-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2005-02-10 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 (4 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-10022390-B2 Phosphoramidate derivatives of 5-fluoro-2′-deoxyuridine for use in the treatment of cancer SLC29A2, SLC29A1, TYMP CA1 4690/4885CA2 4213/4885BCHE 3099/4885
US-20140057866-A1 PHOSPHORAMIDATE DERIVATIVES OF 5 - FLUORO - 2` - DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER SLC29A2, SLC29A1, TYMP CA1 4716/4885CA2 4201/4885BCHE 3104/4885
US-20060142238-A1 Chemical compounds NUDT1, DCK, PNP CA1 3410/4885CA2 3388/4885BCHE 762/4885
US-20150183817-A1 PHOSPHORAMIDATE DERIVATIVES OF 5-FLUORO-2'-DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER SLC29A2, SLC29A1, TYMP CA1 4693/4885CA2 4170/4885BCHE 3112/4885

“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.