SCHEMBL1807498

SCHEMBL1807498

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL10004082 0.87 CA1 (0.38) CA1CA2TP53SMN1; SMN2KMT2A
SCHEMBL1808950 0.87 CA1 (0.48) CA1CA2CES2CES1ALDH1A1
SCHEMBL1811991 0.85 HPGD (0.39) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL2008560 0.84 LMNA (0.41) CA2ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1807789 0.84 CYP1A2 (0.37) ALDH1A1LMNAMAPK1SMN1; SMN2KMT2A
SCHEMBL2008561 0.84 LMNA (0.41) CA2ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL7023448 0.84 APP (0.32) ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL643837 0.83 BTN3A1 (0.40) LMNAMAPK1HTT
SCHEMBL5996997 0.83 BTN3A1 (0.40) LMNAMAPK1HTT
SCHEMBL1809484 0.82 NPC1 (0.50) CA1CA2ALDH1A1TP53SMN1; SMN2

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
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-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
EP-2955190-A2 Chemical compounds NuCana BioMed Limited (GB) 2015-12-16 EP 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 (1 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-20060142238-A1 Chemical compounds NUDT1, DCK, PNP CA1 3410/4885CA2 3388/4885CES2 1083/4885

“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.