SCHEMBL12758342

SCHEMBL12758342

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 3/20 0.52
▸ HPGD P15428 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.51
▸ NT5E P21589 1/20 0.49
▸ STING1 Q86WV6 2/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ RPS6KA3 P51812 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47

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
SCHEMBL12151803 1.00 HINT1 (0.52) HINT1HPGDADORA3NT5ESTING1
SCHEMBL1374868 1.00 HINT1 (0.52) HINT1HPGDADORA3NT5ESTING1
SCHEMBL7101375 0.89 ADORA3 (0.53) HINT1HPGDADORA3NT5ESTING1
SCHEMBL29908542 0.88 ADORA3 (0.52) HINT1HPGDADORA3NT5ESTING1
SCHEMBL28911222 0.88 HPGD (0.54) HINT1HPGDADORA3NT5ESTING1
SCHEMBL3734057 0.88 ADORA3 (0.51) HINT1HPGDADORA3NT5ESTING1
SCHEMBL29771263 0.87 HINT1 (0.51) HINT1HPGDADORA3NT5ESTING1
SCHEMBL3427138 0.87 ADORA3 (0.50) HINT1HPGDADORA3NT5ESTING1
SCHEMBL18490626 0.86 ADORA3 (0.52) HINT1HPGDADORA3NT5ESTING1
SCHEMBL5950284 0.86 HPGD (0.47) HINT1HPGDADORA3NT5EADORA2A

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-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-7902202-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-03-08 — — 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 (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 HINT1 337/4885HPGD 403/4885ADORA3 1822/4885
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections HAVCR2, PYGL, GYS2 HINT1 337/4885HPGD 403/4885ADORA3 1822/4885
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 HINT1 337/4885HPGD 403/4885ADORA3 1822/4885
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 HINT1 337/4885HPGD 403/4885ADORA3 1822/4885

“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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