SCHEMBL4735554

SCHEMBL4735554

Nc1ccn([C@@H]2O[C@H](CO)[C@H](OP(=O)(O)O)C2O)c(=O)n1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
THRB P10828 1/20 0.69
MTOR P42345 1/20 0.69
MDM2 Q00987 1/20 0.69
NCOA1 Q15788 1/20 0.69
NCOA3 Q9Y6Q9 1/20 0.69
P2RY2 P41231 1/20 0.52
PDE4D Q08499 1/20 0.51
PDE3A Q14432 1/20 0.51
SLC29A1 Q99808 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
TSHR P16473 1/20 0.50
NT5E P21589 1/20 0.50
GLA P06280 1/20 0.50
ADORA1 P30542 1/20 0.48
ST6GAL1 P15907 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3608348 1.00 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL11617377 1.00 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL10177274 1.00 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL79966 1.00 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL2212574 1.00 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL18151989 1.00 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
SCHEMBL28151155 0.96 LMNA (0.67) LMNATHRBMTORMDM2NCOA1
SCHEMBL2537576 0.92 LMNA (0.64) LMNATHRBMTORMDM2NCOA1
SCHEMBL11327207 0.92 LMNA (0.64) LMNATHRBMTORMDM2NCOA1
SCHEMBL39903 0.92 P2RY2 (0.58) LMNATHRBMTORMDM2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2013-02-14 US disclosed
US-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 US disclosed
US-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 US disclosed
US-8283369-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES. INC. (US) 2012-10-09 US disclosed
US-8173690-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-05-08 US disclosed
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-01 US disclosed
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 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-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS LMNA 503/4885THRB 3306/4885MTOR 3142/4885
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT LMNA 752/4885THRB 4110/4885MTOR 3153/4885
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS LMNA 503/4885THRB 3306/4885MTOR 3142/4885
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS LMNA 503/4885THRB 3306/4885MTOR 3142/4885
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels XDH, PON1, OAT LMNA 752/4885THRB 4110/4885MTOR 3153/4885

“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.