SCHEMBL2484115

SCHEMBL2484115

C[C@@]1(F)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](COC(=O)c2ccc(Cl)cc2)O[C@H]1n1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PNP P00491 1/20 0.39
ABCB1 P08183 1/20 0.38
SLC29A1 Q99808 1/20 0.38
HINT1 P49773 2/20 0.37
ADORA2A P29274 2/20 0.37
GSK3A P49840 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MAPK14 Q16539 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 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
SCHEMBL2484116 1.00 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL30090969 1.00 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL2484112 1.00 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL930786 0.94 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL19777955 0.94 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL24829628 0.94 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL17453217 0.94 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL930787 0.94 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL14652919 0.94 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT
SCHEMBL30378647 0.94 NT5E (0.44) NT5EALDH1A1LMNATP53MAPT

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
US-12102648-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2024-10-01 US disclosed
EP-4355755-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS Venatorx Pharmaceuticals, Inc. (US) 2024-04-24 EP disclosed
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 US disclosed
WO-2022265964-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2022-12-22 WO disclosed
US-9045520-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2015-06-02 US disclosed
US-20140205566-A1 CYCLIC NUCLEUOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-07-24 US disclosed
WO-2014082935-A1 CYCLIC NUCLEOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-06-05 WO disclosed
EP-2671888-A1 3',5'-cyclic nucleoside phosphate analogues Gilead Pharmasset LLC (US) 2013-12-11 EP disclosed
US-20120316327-A1 SYNTHESIS OF PURINE NUCLEOSIDES GILEAD PHARMASSET LLC (US) 2012-12-13 US disclosed
EP-2376515-A1 Synthesis of purine nucleosides Pharmasset, Inc. (US) 2011-10-19 EP disclosed
WO-2010075554-A1 SYNTHESIS OF PURINE NUCLEOSIDES PHARMASSET, INC. (US) 2010-07-01 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 (6 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-20120316327-A1 SYNTHESIS OF PURINE NUCLEOSIDES PNP, NUDT1, TYMP NT5E 64/4885ALDH1A1 2131/4885LMNA 1983/4885
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP NT5E 96/4885ALDH1A1 2219/4885LMNA 1629/4885
US-12102648-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP NT5E 96/4885ALDH1A1 2219/4885LMNA 1629/4885
US-20140205566-A1 CYCLIC NUCLEUOSIDE DERIVATIVES AND USES THEREOF NSUN2, NSUN3, DDX21 NT5E 608/4885ALDH1A1 2311/4885LMNA 830/4885
US-11638715-B2 Orally-bioavailable nucleoside analogs SLC29A2, SLC29A1, PNP NT5E 96/4885ALDH1A1 2219/4885LMNA 1629/4885
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP NT5E 96/4885ALDH1A1 2219/4885LMNA 1629/4885

“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.