SCHEMBL6758744

SCHEMBL6758744

CC(=O)OCC1CC(n2ccc(=O)[nH]c2=O)C(F)(F)C1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P2RY14 Q15391 2/20 0.34
POLA1 P09884 1/20 0.34
P2RY2 P41231 4/20 0.33
DUT P33316 2/20 0.33
SLC28A1 O00337 1/20 0.33
SLC28A2 O43868 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
P2RY4 P51582 3/20 0.32
P2RY6 Q15077 3/20 0.32

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
SCHEMBL3340940 0.77 LMNA (0.41) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL11965624 0.77 LMNA (0.41) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL19534468 0.76 CYP3A4 (0.46) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL19298159 0.76 CYP3A4 (0.46) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL19295878 0.76 CYP3A4 (0.46) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL19283199 0.76 CYP3A4 (0.46) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL13066077 0.76 POLA1 (0.44) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL21418772 0.76 CYP3A4 (0.46) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL21418788 0.76 CYP3A4 (0.46) LMNATHRBSMN1; SMN2HIF1ATDP1
SCHEMBL16576283 0.76 CYP3A4 (0.46) LMNATHRBSMN1; SMN2HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 US disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 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 (2 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 LMNA 4330/4885THRB 4383/4885SMN1; SMN2 4281/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 LMNA 4330/4885THRB 4383/4885SMN1; SMN2 4281/4885

“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.