SCHEMBL3319093

SCHEMBL3319093

CC(C)C(=O)Nc1nc2c(ncn2C2OC(C=CP(=O)(O)O)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.55
▸ TAS1R1 Q7RTX1 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.46
▸ IMPDH2 P12268 7/20 0.44
▸ IMPDH1 P20839 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ AHCY P23526 2/20 0.41
▸ HINT1 P49773 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ TGM2 P21980 1/20 0.40
▸ KRAS P01116 1/20 0.39

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
SCHEMBL3319089 1.00 TAS1R3 (0.55) TAS1R3TAS1R1KDM4EIMPDH2IMPDH1
SCHEMBL14102294 0.91 TAS1R3 (0.67) TAS1R3TAS1R1IMPDH2IMPDH1HPGD
SCHEMBL14134528 0.89 TAS1R3 (0.55) TAS1R3TAS1R1IMPDH2IMPDH1TAAR1
SCHEMBL3316465 0.89 TAS1R3 (0.55) TAS1R3TAS1R1KDM4EIMPDH2IMPDH1
SCHEMBL3316463 0.89 TAS1R3 (0.55) TAS1R3TAS1R1KDM4EIMPDH2IMPDH1
SCHEMBL3316472 0.88 TAS1R3 (0.53) TAS1R3TAS1R1KDM4EIMPDH2IMPDH1
SCHEMBL30580421 0.85 TAS1R3 (0.49) TAS1R3TAS1R1KDM4EIMPDH2IMPDH1
SCHEMBL22883486 0.81 TAS1R3 (0.62) TAS1R3TAS1R1KDM4EIMPDH2IMPDH1
SCHEMBL3318875 0.81 NT5E (0.59) IMPDH2TAAR1HINT1NT5ETGM2
SCHEMBL13396564 0.81 NT5E (0.59) IMPDH2TAAR1HINT1NT5ETGM2

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-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — US disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 — — 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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 TAS1R3 4231/4885TAS1R1 3479/4885KDM4E 3824/4885

“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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