SCHEMBL4735948

SCHEMBL4735948

Cc1ccc(-n2c(SCC(=O)O)nnc2C(F)F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC22A11 Q9NSA0 1/20 0.49
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
USP2 O75604 2/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL1299700 0.88 SLC22A12 (0.48) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10176742 0.85 SLC22A12 (0.54) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4736012 0.83 ALDH1A1 (0.44) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4735973 0.83 SLC22A12 (0.73) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4736104 0.83 SLC22A12 (0.69) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10227726 0.82 SLC22A12 (0.49) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL879151 0.80 ALDH1A1 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19TP53
SCHEMBL1299345 0.78 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL254195 0.78 KDR (0.47) CYP3A4CYP2D6CYP2C9CYP2C19THRB
SCHEMBL10176869 0.77 SLC22A12 (0.45) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use ARDEA BIOSCIENCES INC. 2019-05-16 US disclosed
US-10183012-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2019-01-22 US disclosed
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2017-10-05 US disclosed
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2017-10-05 US disclosed
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
EP-2217577-B1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC (US) 2014-08-06 EP disclosed
US-20140128338-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2014-05-08 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-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
WO-2010028190-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-03-11 WO disclosed
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 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
US-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 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 (11 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-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP1A2 1468/4885CYP3A4 2237/4885
US-20140128338-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP1A2 1468/4885CYP3A4 2237/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP1A2 1176/4885CYP3A4 2152/4885
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels XDH, PON1, OAT SLC22A12 1095/4885CYP1A2 1468/4885CYP3A4 2237/4885
US-10183012-B2 Compounds and compositions and methods of use XDH, PON1, OAT SLC22A12 815/4885CYP1A2 698/4885CYP3A4 1619/4885
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP1A2 1176/4885CYP3A4 2152/4885
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP1A2 1468/4885CYP3A4 2237/4885
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP1A2 1176/4885CYP3A4 2152/4885
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP1A2 1176/4885CYP3A4 2152/4885
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP1A2 1176/4885CYP3A4 2152/4885
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use XDH, PON1, GLS SLC22A12 1122/4885CYP1A2 1176/4885CYP3A4 2152/4885

“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.