SCHEMBL19974997

SCHEMBL19974997

C=C[Si](C)(C)O[C@@H]1[C@@H](COCc2ccc(OC)cc2)OC(=O)C1(C)Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.32
TLR9 Q9NR96 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
GJB2 P29033 1/20 0.31
GJA1 P17302 1/20 0.31
PPARG P37231 1/20 0.31
IDO1 P14902 1/20 0.30
AGXT P21549 1/20 0.30

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
SCHEMBL19974436 0.80 GLA (0.39) GLANPSR1TLR9SMN1; SMN2HDAC4
SCHEMBL19978973 0.77 GLA (0.32) GLANPSR1HPGDTLR9ALDH1A1
SCHEMBL19974420 0.77 GLA (0.32) GLANPSR1HPGDTLR9ALDH1A1
SCHEMBL26558053 0.76 GLA (0.39) GLANPSR1HPGDTLR9ALDH1A1
SCHEMBL19978974 0.75 SMN1; SMN2 (0.38) GLANPSR1HPGDTLR9ALDH1A1
SCHEMBL22700173 0.74 GLA (0.35) GLANPSR1TLR9HDAC4HDAC6
SCHEMBL26558014 0.74 GLA (0.39) GLANPSR1HPGDTLR9SMN1; SMN2
SCHEMBL26558058 0.74 TLR9 (0.35) GLANPSR1TLR9HDAC4HDAC6
SCHEMBL19974581 0.73 GLA (0.33) GLANPSR1TLR9HDAC4HDAC6
SCHEMBL19979038 0.73 GLA (0.33) GLANPSR1TLR9HDAC4HDAC6

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 GLA 3619/4885NPSR1 3741/4885HPGD 1886/4885

“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.