SCHEMBL805145

SCHEMBL805145

C[C@H](OC(=O)c1ccccc1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(F)(F)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLA1 P09884 1/20 0.37
P2RY2 P41231 1/20 0.35
P2RY4 P51582 1/20 0.35
NT5E P21589 1/20 0.35
SLC28A1 O00337 1/20 0.34
SLC28A2 O43868 1/20 0.34
SLC29A1 Q99808 1/20 0.34
SLC28A3 Q9HAS3 1/20 0.34
DUT P33316 2/20 0.34
P2RY6 Q15077 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL800876 0.83 POLA1 (0.44) CYP3A4CYP2C9POLA1P2RY2P2RY4
SCHEMBL13134791 0.81 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10P2RY2
SCHEMBL882013 0.81 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10P2RY2
SCHEMBL14644648 0.81 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10P2RY2
SCHEMBL805029 0.81 CYP3A4 (0.39) CYP3A4CYP2C9POLBHSD17B10P2RY2
SCHEMBL13253100 0.80 SLC28A1 (0.41) CYP3A4CYP2C9P2RY2SLC28A1SLC28A2
SCHEMBL20427395 0.80 SLC29A1 (0.41) CYP3A4CYP2C9POLA1P2RY2P2RY4
SCHEMBL800372 0.80 SLC29A1 (0.41) CYP3A4CYP2C9POLA1P2RY2P2RY4
SCHEMBL13134626 0.80 SLC29A1 (0.41) CYP3A4CYP2C9POLA1P2RY2P2RY4
SCHEMBL13253087 0.79 SLC28A1 (0.44) P2RY2SLC28A1SLC28A2SLC29A1SLC28A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
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 CYP3A4 3278/4885CYP2C9 3385/4885POLB 119/4885

“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.