SCHEMBL1810261

SCHEMBL1810261

CC(N)(Cc1ccccc1)C(=O)OCc1ccccc1.O=P(O)(O)Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.51
PTPRC P08575 2/20 0.51
ALDH1A1 P00352 3/20 0.45
BLM P54132 1/20 0.44
FDPS P14324 1/20 0.44
BACE1 P56817 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MMP8 P22894 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1806977 0.94 PTPN1 (0.49) PTPN1PTPRCALDH1A1BLMBACE1
SCHEMBL1809666 0.91 PTPN1 (0.58) PTPN1PTPRCBLMBACE1TSHR
SCHEMBL1809438 0.89 MMP8 (0.53) PTPN1PTPRCALDH1A1BLMFDPS
SCHEMBL1808143 0.89 RAB9A (0.47) PTPN1PTPRCALDH1A1
SCHEMBL1811750 0.86 FDPS (0.46) PTPN1ALDH1A1BLMFDPSSMN1; SMN2
SCHEMBL13934632 0.83 BACE1 (0.52) PTPN1PTPRCALDH1A1BLMBACE1
SCHEMBL28789807 0.80 PTPN1 (0.52) PTPN1PTPRCALDH1A1SMN1; SMN2TSHR
SCHEMBL1831636 0.79 MMP8 (0.61) ALDH1A1BLMSMN1; SMN2HIF1ATSHR
SCHEMBL10684512 0.79 MMP8 (0.61) ALDH1A1BLMSMN1; SMN2HIF1ATSHR
SCHEMBL7936677 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2SLC6A2MMP8MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 2740/4885PTPRC 3275/4885ALDH1A1 1643/4885

“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.