SCHEMBL12758246

SCHEMBL12758246

CC(C)(CO)C(=O)SCCOP(=O)(NCc1ccccc1)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(C)(O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
NT5E P21589 2/20 0.39
KRAS P01116 8/20 0.39
FUT6 P51993 1/20 0.39
TGM2 P21980 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
SCHEMBL13523361 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL15215805 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL13522466 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL10819846 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL12202712 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL12149834 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL3132403 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL13522420 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL16350180 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E
SCHEMBL12202710 1.00 HINT1 (0.45) HINT1TAS1R3TAS1R1ADORA3NT5E

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 7 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-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-09-11 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-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections CRETTON-SCOTT ERIKA 2010-01-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100003217-A1 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GOT1 HINT1 351/4885TAS1R3 4541/4885TAS1R1 4630/4885
US-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections HAVCR2, PYGL, GYS2 HINT1 337/4885TAS1R3 4760/4885TAS1R1 4791/4885
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections HAVCR2, PYGL, GYS2 HINT1 337/4885TAS1R3 4760/4885TAS1R1 4791/4885
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GYS2 HINT1 337/4885TAS1R3 4760/4885TAS1R1 4791/4885
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 HINT1 337/4885TAS1R3 4760/4885TAS1R1 4791/4885

“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.