SCHEMBL800389

SCHEMBL800389

COC(=O)C(C)NP(=O)(Oc1ccccc1)OC(C)C1C[C@@H](O)C(n2ccc(C)nc2=O)O1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
BTN3A1 O00481 6/20 0.37
P2RY6 Q15077 1/20 0.34
ST6GAL1 P15907 4/20 0.31

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
SCHEMBL13134724 0.92 ST6GAL1 (0.38) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL881973 0.92 ST6GAL1 (0.38) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL800664 0.92 ST6GAL1 (0.38) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL800827 0.92 ST6GAL1 (0.38) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL13134722 0.92 ST6GAL1 (0.38) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL881938 0.92 ST6GAL1 (0.38) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL10280381 0.87 CYP3A4 (0.51) CYP3A4CYP2C9BTN3A1P2RY6ST6GAL1
SCHEMBL882208 0.83 CYP3A4 (0.37) CYP3A4CYP2C9BTN3A1ST6GAL1
SCHEMBL10280104 0.79 CYP3A4 (0.50) CYP3A4CYP2C9BTN3A1P2RY6ST6GAL1
SCHEMBL800130 0.78 NT5E (0.49) P2RY6ST6GAL1

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 CYP3A4 3278/4885CYP2C9 3385/4885BTN3A1 3451/4885

“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.