SCHEMBL800876

SCHEMBL800876

CC(C)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)(F)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
SLC28A1 O00337 1/20 0.42
SLC28A2 O43868 1/20 0.42
SLC29A1 Q99808 1/20 0.42
SLC28A3 Q9HAS3 1/20 0.42
P2RY2 P41231 7/20 0.42
P2RY4 P51582 2/20 0.42
P2RY6 Q15077 4/20 0.38

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
SCHEMBL20427395 0.91 SLC29A1 (0.41) POLA1CYP3A4CYP2C9SLC28A1SLC28A2
SCHEMBL800372 0.91 SLC29A1 (0.41) POLA1CYP3A4CYP2C9SLC28A1SLC28A2
SCHEMBL13134626 0.91 SLC29A1 (0.41) POLA1CYP3A4CYP2C9SLC28A1SLC28A2
SCHEMBL805145 0.83 CYP3A4 (0.45) POLA1CYP3A4CYP2C9SLC28A1SLC28A2
SCHEMBL800274 0.82 POLA1 (0.38) POLA1CYP3A4CYP2C9SLC28A1SLC28A2
SCHEMBL26268767 0.82 POLA1 (0.48) POLA1CYP3A4CYP2C9SLC28A1SLC28A2
SCHEMBL12827120 0.82 POLA1 (0.44) POLA1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL540156 0.80 P2RY2 (0.41) POLA1CYP3A4CYP2C9SLC28A1SLC28A2
SCHEMBL10492407 0.80 P2RY2 (0.41) POLA1CYP3A4CYP2C9SLC28A1SLC28A2
SCHEMBL541102 0.80 P2RY2 (0.41) POLA1CYP3A4CYP2C9SLC28A1SLC28A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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 (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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 POLA1 232/4885CYP3A4 3278/4885CYP2C9 3385/4885

“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.