SCHEMBL4736147

SCHEMBL4736147

O=C(O)CCCSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 18/20 0.78
CYP2C9 P11712 5/20 0.78
CYP2C19 P33261 4/20 0.78
CYP1A2 P05177 2/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2D6 P10635 1/20 0.78
SLC22A11 Q9NSA0 1/20 0.78
SLC2A9 Q9NRM0 3/20 0.60
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.40
PTK2 Q05397 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4735893 0.88 SLC22A12 (0.60) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
Lesinurad SCHEMBL29353441 0.88 SLC22A12 (1.00) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
Lesinurad SCHEMBL842962 0.88 SLC22A12 (1.00) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4736111 0.87 SLC22A12 (0.65) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
Lesinurad SCHEMBL2265513 0.87 SLC22A12 (0.98) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL21164758 0.84 SLC22A12 (0.69) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL11915750 0.83 SLC22A12 (0.92) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL8780267 0.83 SLC22A12 (0.80) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4736204 0.83 SLC22A12 (0.70) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1299697 0.83 SLC22A12 (0.67) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels 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
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-20140128338-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2014-05-08 US disclosed
US-8633232-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2014-01-21 US disclosed
US-8633232-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2014-01-21 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-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2013-02-14 US disclosed
US-8242154-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-08-14 US disclosed
US-8242154-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-08-14 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-8173690-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2012-05-08 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

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-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP2C9 1309/4885CYP2C19 1898/4885
US-20140128338-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP2C9 1309/4885CYP2C19 1898/4885
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels XDH, PON1, OAT SLC22A12 1095/4885CYP2C9 1309/4885CYP2C19 1898/4885
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP2C9 1309/4885CYP2C19 1898/4885
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels XDH, PON1, OAT SLC22A12 1095/4885CYP2C9 1309/4885CYP2C19 1898/4885

“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.