SCHEMBL4736083

SCHEMBL4736083

O=C(O)CSc1nnc(C(F)(F)F)n1-c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
SLC22A11 Q9NSA0 1/20 0.48
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
FFAR1 O14842 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL10227726 0.84 SLC22A12 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10227725 0.83 SLC22A12 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10177198 0.82 TSHR (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4736086 0.82 SLC22A12 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4736102 0.81 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6432060 0.81 ALDH1A1 (0.60) POLBGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL10228689 0.78 SLC22A12 (0.39) SLC22A12SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL8931020 0.75 KDM4E (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10226543 0.73 SLC22A12 (0.38) CYP2C9CYP2C19SLC22A12SMN1; SMN2ALDH1A1
SCHEMBL859415 0.73 ALDH1A1 (0.74) POLBGAASMN1; SMN2ALDH1A1HPGD

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 28 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-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-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-8546437-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2013-10-01 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-8084483-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2011-12-27 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
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 CYP1A2 1468/4885CYP3A4 2237/4885CYP2D6 1887/4885
US-20140128338-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT CYP1A2 1468/4885CYP3A4 2237/4885CYP2D6 1887/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS CYP1A2 1176/4885CYP3A4 2152/4885CYP2D6 1553/4885
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels XDH, PON1, OAT CYP1A2 1468/4885CYP3A4 2237/4885CYP2D6 1887/4885
US-10183012-B2 Compounds and compositions and methods of use XDH, PON1, OAT CYP1A2 698/4885CYP3A4 1619/4885CYP2D6 1032/4885
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS CYP1A2 1176/4885CYP3A4 2152/4885CYP2D6 1553/4885
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT CYP1A2 1468/4885CYP3A4 2237/4885CYP2D6 1887/4885
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS CYP1A2 1176/4885CYP3A4 2152/4885CYP2D6 1553/4885
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS CYP1A2 1176/4885CYP3A4 2152/4885CYP2D6 1553/4885
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use XDH, PON1, GLS CYP1A2 1176/4885CYP3A4 2152/4885CYP2D6 1553/4885
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels XDH, PON1, OAT CYP1A2 1468/4885CYP3A4 2237/4885CYP2D6 1887/4885

“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.