SCHEMBL16777730

SCHEMBL16777730

CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(Cl)(Cl)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ HINT1 P49773 2/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ NT5E P21589 1/20 0.42
▸ KRAS P01116 7/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL16777573 1.00 CYP3A4 (0.59) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL16777473 1.00 CYP3A4 (0.59) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL16777095 1.00 CYP3A4 (0.59) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL16777474 1.00 CYP3A4 (0.59) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL16777725 1.00 CYP3A4 (0.59) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL16777732 1.00 CYP3A4 (0.59) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL15588437 0.94 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL16480522 0.94 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL15588434 0.94 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL15588433 0.94 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2017-07-13 — — US disclosed
US-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2017-07-13 — — US disclosed
WO-2015081297-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION 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 (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-20170198005-A1 2'-DICHLORO AND 2'-FLUORO-2'-CHLORO NUCLEOSIDE ANALOGUES FOR HCV INFECTION HAVCR2, SLC29A2, SLC28A2 CYP3A4 1240/4885CYP2C9 1127/4885TAS1R3 3812/4885

“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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