SCHEMBL12150418

SCHEMBL12150418

C#C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.43
KRAS P01116 11/20 0.43
POLB P06746 1/20 0.41
TGM2 P21980 1/20 0.41
HINT1 P49773 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
FUT5 Q11128 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
SCHEMBL20977483 1.00 NT5E (0.43) NT5EKRASPOLBTGM2HINT1
SCHEMBL12831829 0.96 NT5E (0.40) NT5EKRASPOLBTGM2HINT1
SCHEMBL16021610 0.94 NT5E (0.41) NT5EKRASPOLBTGM2HINT1
SCHEMBL16023845 0.87 KRAS (0.36) NT5EKRASPOLBTGM2HINT1
SCHEMBL22224830 0.86 ADORA3 (0.40) NT5E
SCHEMBL21136209 0.86 CA12 (0.35) NT5E
SCHEMBL12150426 0.86 NT5E (0.38) NT5EKRASPOLBTGM2HINT1
SCHEMBL21136264 0.83 NT5E (0.54) NT5EKRASPOLBTGM2TAS1R3
SCHEMBL19822457 0.83 NT5E (0.54) NT5EKRASPOLBTGM2TAS1R3
SCHEMBL14143099 0.83 HINT1 (0.39) NT5EKRASPOLBHINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249173-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-9249173-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. 2011-11-24 US disclosed
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. 2011-11-24 US disclosed
US-7951789-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7951789-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7902202-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections IDENIX PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections IDENIX PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
US-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections IDENIX PHARMACEUTICALS, INC 2009-07-02 US disclosed
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. 2008-11-20 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 (4 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-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections HAVCR2, PYGL, GYS2 NT5E 947/4885KRAS 3030/4885POLB 128/4885
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections HAVCR2, PYGL, GYS2 NT5E 947/4885KRAS 3030/4885POLB 128/4885
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GYS2 NT5E 947/4885KRAS 3030/4885POLB 128/4885
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 NT5E 947/4885KRAS 3030/4885POLB 128/4885

“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.