SCHEMBL249022

SCHEMBL249022

COC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 16/20 0.78
CYP2C19 P33261 3/20 0.78
CYP2C9 P11712 2/20 0.78
CYP2D6 P10635 2/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
SLC22A11 Q9NSA0 1/20 0.78
SLC2A9 Q9NRM0 3/20 0.67
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11915751 0.96 SLC22A12 (0.71) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL19987624 0.91 SLC22A12 (0.79) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4735395 0.91 SLC22A12 (0.70) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4736112 0.90 SLC22A12 (0.75) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL21164758 0.90 SLC22A12 (0.69) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL13445169 0.90 SLC22A12 (0.78) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4736210 0.89 SLC22A12 (0.74) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL28666334 0.89 SLC22A12 (0.61) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL4735350 0.89 SLC22A12 (0.82) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2
SCHEMBL16310802 0.88 SLC22A12 (0.78) SLC22A12CYP2C19CYP2C9CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116500-B Purification method of Resinard key intermediate 北京鑫开元医药科技有限公司海南分公司 2021-06-08 CN disclosed
CN-111116501-B Synthesis method of Ravinard intermediate capable of effectively reducing impurity content 北京鑫开元医药科技有限公司海南分公司 2021-03-12 CN disclosed
CN-111116501-B Synthesis method of Ravinard intermediate capable of effectively reducing impurity content 北京鑫开元医药科技有限公司海南分公司 2021-03-12 CN disclosed
EP-3279188-B1 AXIALLY CHIRAL ISOMERS, AND PREPARATION METHODS THEREFOR AND PHARMACEUTICAL USES THEREOF MEDSHINE DISCOVERY INC (CN) 2020-09-09 EP disclosed
CN-107955029-B Preparation method of Raschindde 成都美域高制药有限公司 2020-08-11 CN disclosed
CN-111220728-A Detection method for effectively separating Raschindyleigh and main impurities 北京鑫开元医药科技有限公司海南分公司 2020-06-02 CN disclosed
CN-111116500-A Purification method of Resinard key intermediate 北京鑫开元医药科技有限公司海南分公司 2020-05-08 CN disclosed
CN-111116501-A Synthesis method of Ravinard intermediate capable of effectively reducing impurity content 北京鑫开元医药科技有限公司海南分公司 2020-05-08 CN disclosed
CN-111116501-A Synthesis method of Ravinard intermediate capable of effectively reducing impurity content 北京鑫开元医药科技有限公司海南分公司 2020-05-08 CN disclosed
US-20200062720-A1 NOVEL PREPARATION METHOD FOR ANTI-GOUT DRUG LESINURAD, AND KEY INTERMEDIATE THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 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-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 US disclosed
EP-2135608-A1 S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2009-12-23 EP disclosed
EP-2135608-A1 S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2009-12-23 EP 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
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 US disclosed
WO-2009070740-A2 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-06-04 WO disclosed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 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 1898/4885CYP2C9 1309/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP2C19 1696/4885CYP2C9 1526/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 SLC22A12 1536/4885CYP2C19 660/4885CYP2C9 381/4885
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT SLC22A12 1095/4885CYP2C19 1898/4885CYP2C9 1309/4885
US-20200062720-A1 NOVEL PREPARATION METHOD FOR ANTI-GOUT DRUG LESINURAD, AND KEY INTERMEDIATE THEREOF TXNRD3, TXNRD1, CBR3 SLC22A12 2314/4885CYP2C19 992/4885CYP2C9 102/4885

“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.