SCHEMBL3971071

SCHEMBL3971071

O=C(CNOCc1ccccc1)OP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
ELANE P08246 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KLK1 P06870 1/20 0.39
PRTN3 P24158 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
SMPD1 P17405 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3972258 0.85 LMNA (0.39) MEN1KMT2AHTT
SCHEMBL4271373 0.83 NPC1 (0.46) NPC1RAB9ACA1CA2CA9
SCHEMBL7032414 0.82 BTN3A1 (0.42) MEN1KMT2AHTT
SCHEMBL27725217 0.78 TSHR (0.45) NPC1RAB9ACA1CA2CA9
SCHEMBL7214230 0.78 NPC1 (0.50) NPC1RAB9ACA1CA2CA9
SCHEMBL4268814 0.76 ELANE (0.40) NPC1RAB9AELANETP53MEN1
SCHEMBL857081 0.76 ELANE (0.48) NPC1RAB9AELANETP53MEN1
SCHEMBL1809420 0.73 CTSL (0.38) NPC1RAB9AELANETP53MEN1
SCHEMBL1812174 0.72 ELANE (0.45) NPC1RAB9AELANEPRTN3
SCHEMBL8519322 0.72 TSHR (0.53) ELANEMEN1KMT2AHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130387-A1 PHOSPHORAMIDATE NUCLEOSIDE DERIVATIVES AS ANTICANCER AGENTS NuCana plc (GB) 2021-05-06 US disclosed
US-10906929-B2 Phosphoramidate nucleoside derivatives as anticancer agents NuCana plc (GB) 2021-02-02 US disclosed
EP-3464309-B1 PHOSPHORAMIDATE NUCLEOSIDE DERIVATIVES AS ANTICANCER AGENTS NuCana plc (GB) 2020-06-10 EP disclosed
EP-3464309-A1 PHOSPHORAMIDATE NUCLEOSIDE DERIVATIVES AS ANTICANCER AGENTS Nucana PLC (GB) 2019-04-10 EP disclosed
WO-2017207986-A1 PHOSPHORAMIDATE NUCLEOSIDE DERIVATIVES AS ANTICANCER AGENTS NUCANA BIOMED LIMITED (GB) 2017-12-07 WO disclosed
WO-2009052050-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS PHARMASSET, INC. (US) 2009-04-23 WO 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 (3 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-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS TYMP, DTYMK, TYMS NPC1 2877/4885RAB9A 2759/4885ELANE 809/4885
US-10906929-B2 Phosphoramidate nucleoside derivatives as anticancer agents PNP, TYMP, MTAP NPC1 1287/4885RAB9A 2827/4885ELANE 3416/4885
US-20210130387-A1 PHOSPHORAMIDATE NUCLEOSIDE DERIVATIVES AS ANTICANCER AGENTS PNP, MTAP, NUDT1 NPC1 1361/4885RAB9A 2811/4885ELANE 3252/4885

“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.