SCHEMBL15045902

SCHEMBL15045902

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.52
HINT1 P49773 5/20 0.51
NT5E P21589 2/20 0.49
HPGD P15428 1/20 0.47
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
POLB P06746 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
TGM2 P21980 1/20 0.46
ADA P00813 1/20 0.46
PNP P00491 1/20 0.45
STING1 Q86WV6 1/20 0.45

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
SCHEMBL15259226 1.00 ADORA2A (0.52) ADORA2AHINT1NT5EHPGDGSK3A
SCHEMBL16918687 0.92 ADORA2A (0.52) ADORA2AHINT1NT5EHPGDGSK3A
SCHEMBL13483535 0.90 HINT1 (0.52) ADORA2AHINT1NT5EHPGDGSK3A
SCHEMBL18744136 0.90 ADORA2A (0.50) ADORA2AHINT1NT5EHPGDGSK3A
SCHEMBL16125299 0.90 HINT1 (0.49) ADORA2AHINT1NT5EHPGDGSK3A
SCHEMBL13482963 0.90 NT5E (0.51) ADORA2AHINT1NT5EHPGDGSK3A
SCHEMBL23171224 0.89 HINT1 (0.51) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL15788412 0.89 HINT1 (0.51) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL15643491 0.89 HINT1 (0.51) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL17232109 0.89 ADORA2A (0.48) ADORA2ANT5EADORA3ADA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928876-B1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 US disclosed
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 US disclosed
WO-2014088923-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2014-06-12 WO disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 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 (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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ADORA2A 645/4885HINT1 4559/4885NT5E 586/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ADORA2A 645/4885HINT1 4559/4885NT5E 586/4885
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS DCK, DTYMK, TK1 ADORA2A 353/4885HINT1 1013/4885NT5E 607/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 ADORA2A 645/4885HINT1 4559/4885NT5E 586/4885

“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.