SCHEMBL4736153

SCHEMBL4736153

CC(C)(C)c1ccc(-n2c(Br)nnc2SCC(=O)O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.49
CYP2C19 P33261 2/20 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
SLC22A11 Q9NSA0 1/20 0.49
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
RPA1 P27694 1/20 0.39
HTT P42858 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
SCHEMBL4735964 0.84 TP53 (0.45) CYP2C19TP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4736180 0.80 SLC22A12 (0.48) SLC22A12CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL9610068 0.79 POLB (0.52) CYP2C19TP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4736168 0.76 SLC22A12 (0.52) SLC22A12CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL15700677 0.74 SLC22A12 (0.51) SLC22A12CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL20892483 0.73 SLC22A12 (0.80) SLC22A12TP53ALDH1A1SMN1; SMN2RXRA
SCHEMBL4736104 0.71 SLC22A12 (0.69) SLC22A12CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL4736105 0.70 SLC22A12 (0.68) SLC22A12CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL19420539 0.70 SLC22A12 (0.60) SLC22A12CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL4736154 0.70 SLC22A12 (0.53) SLC22A12CYP2C19CYP1A2CYP3A4CYP2D6

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 1095/4885CYP2C19 1898/4885CYP1A2 1468/4885
US-20140128338-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP2C19 1898/4885CYP1A2 1468/4885
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels XDH, PON1, OAT SLC22A12 1095/4885CYP2C19 1898/4885CYP1A2 1468/4885
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP2C19 1898/4885CYP1A2 1468/4885
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels XDH, PON1, OAT SLC22A12 1095/4885CYP2C19 1898/4885CYP1A2 1468/4885

“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.