SCHEMBL16769314

SCHEMBL16769314

CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ BTN3A1 O00481 4/20 0.42
▸ POLRMT O00411 1/20 0.36

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
SCHEMBL25511366 1.00 CYP3A4 (0.49) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL26288028 0.94 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL26288030 0.94 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL21283660 0.93 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL25511546 0.91 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL24088384 0.90 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL26282459 0.90 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL25804205 0.90 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL24120253 0.90 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL27439278 0.90 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1POLRMT

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-10030044-B2 Nucleotides for the treatment of liver cancer IDENIX PHARMACEUTICALS LLC (US) 2018-07-24 — — US disclosed
US-10030044-B2 Nucleotides for the treatment of liver cancer IDENIX PHARMACEUTICALS LLC (US) 2018-07-24 — — US disclosed
US-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-02-02 — — US disclosed
US-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS LLC (US) 2017-02-02 — — US disclosed
WO-2015081133-A2 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER IDENIX PHARMACEUTICALS, INC. (US) 2015-06-04 — — 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-20170029456-A1 NUCLEOTIDES FOR THE TREATMENT OF LIVER CANCER RNMT, NUDT1, NTPCR CYP3A4 3731/4885CYP2C9 4137/4885BTN3A1 3859/4885
US-10030044-B2 Nucleotides for the treatment of liver cancer RNMT, NUDT1, NTPCR CYP3A4 3731/4885CYP2C9 4137/4885BTN3A1 3859/4885

“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.

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