SCHEMBL800664

SCHEMBL800664

COC(=O)[C@@H](C)N[P@](=O)(Oc1ccccc1)O[C@H](C)[C@@H]1C[C@@H](O)[C@H](n2ccc(N)nc2=O)O1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 11/20 0.38
NT5E P21589 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
BTN3A1 O00481 1/20 0.37

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
SCHEMBL13134722 1.00 ST6GAL1 (0.38) ST6GAL1NT5ECYP3A4CYP2C9BTN3A1
SCHEMBL13134724 1.00 ST6GAL1 (0.38) ST6GAL1NT5ECYP3A4CYP2C9BTN3A1
SCHEMBL881973 1.00 ST6GAL1 (0.38) ST6GAL1NT5ECYP3A4CYP2C9BTN3A1
SCHEMBL800827 1.00 ST6GAL1 (0.38) ST6GAL1NT5ECYP3A4CYP2C9BTN3A1
SCHEMBL881938 1.00 ST6GAL1 (0.38) ST6GAL1NT5ECYP3A4CYP2C9BTN3A1
SCHEMBL882208 0.92 CYP3A4 (0.37) ST6GAL1NT5ECYP3A4CYP2C9BTN3A1
SCHEMBL800389 0.92 CYP3A4 (0.39) ST6GAL1CYP3A4CYP2C9BTN3A1
SCHEMBL800130 0.87 NT5E (0.49) ST6GAL1NT5E
SCHEMBL13134726 0.87 NT5E (0.49) ST6GAL1NT5E
SCHEMBL800358 0.87 NT5E (0.49) ST6GAL1NT5E

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
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 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 (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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 ST6GAL1 2001/4885NT5E 15/4885CYP3A4 3278/4885
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR ST6GAL1 1533/4885NT5E 19/4885CYP3A4 3324/4885

“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.