SCHEMBL19975504

SCHEMBL19975504

COc1ccc(COC[C@H]2O[C@@H](n3cnc4c(Cl)nc(Cl)nc43)[C@@](C)(Cc3ccccc3C(=O)O)[C@H]2O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NT5E P21589 8/20 0.39
PDE2A O00408 6/20 0.38
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL19979256 0.87 NT5E (0.39) NT5EPDE2AALDH1A1LMNATP53
SCHEMBL19975506 0.87 NT5E (0.39) NT5EPDE2AALDH1A1LMNATP53
SCHEMBL19979255 0.78 PDE2A (0.37) NT5EPDE2AALDH1A1LMNATP53
SCHEMBL22700396 0.76 PDE2A (0.36) NT5EPDE2AALDH1A1LMNATP53
SCHEMBL29815432 0.75 LMNA (0.40) NT5EALDH1A1LMNATP53MAPT
SCHEMBL19979002 0.74 PDE2A (0.33) NT5EPDE2AALDH1A1LMNATP53
SCHEMBL19974569 0.73 ADORA2A (0.41) NT5EALDH1A1LMNATP53MAPT
SCHEMBL19974417 0.72 PDE2A (0.51) NT5EPDE2A
SCHEMBL19974448 0.71 ADORA2A (0.55) NT5EPDE2ALMNATP53
SCHEMBL19974411 0.70 PDE2A (0.46) NT5EPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434255-B2 Nucleoside and nucleotide analogues bearing a quaternary all-carbon stereogenic center at the 2′ position and methods of use as a cardioprotective agent LCB PHARMA INC. (CA) 2022-09-06 US disclosed
EP-3512860-B1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC (CA) 2020-11-25 EP disclosed
EP-3512860-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB Pharma Inc. (CA) 2019-07-24 EP disclosed
WO-2018049534-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC. (CA) 2018-03-22 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-11434255-B2 Nucleoside and nucleotide analogues bearing a quaternary all-carbon stereogenic center at the 2′ position and methods of use as a cardioprotective agent TNNT2, NT5C2, PNP NT5E 20/4885PDE2A 742/4885ALDH1A1 3260/4885

“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.