SCHEMBL5524129

SCHEMBL5524129

Sc1nncn1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 18/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC22A11 Q9NSA0 1/20 0.40
SLC2A9 Q9NRM0 2/20 0.33
HCAR1 Q9BXC0 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL29362515 1.00 SLC22A12 (0.40) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL17069753 0.83 SLC22A12 (0.41) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3418015 0.83 SLC22A12 (0.47) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL21182092 0.83
SCHEMBL23022609 0.80 SLC22A12 (0.43) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL20923678 0.77 HTT (0.33) SLC22A12
SCHEMBL19867741 0.76
SCHEMBL27951684 0.76 SLC22A12 (0.43) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL28040527 0.76 HTR6 (0.41) SLC22A12
SCHEMBL19867947 0.75 SLC22A12 (0.41) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365180-B2 Resolution method for axis chiral enantiomers of lesinurad CHINA RESOURCES SAIKE PHARMACEUTICAL CO., LTD. (CN) 2022-06-21 US disclosed
CN-110878057-B Method for preparing Raxinader 江苏宇田医药有限公司 2022-03-22 CN disclosed
CN-113979958-A Preparation method of Raschindde related impurities 海南鑫开源医药科技有限公司 2022-01-28 CN disclosed
CN-111153862-B Raisinard refining method 北京鑫开元医药科技有限公司海南分公司 2021-07-06 CN disclosed
CN-112778223-A Preparation method of Raschindde oxidation impurities 海南鑫开源医药科技有限公司 2021-05-11 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
US-20210053928-A1 RESOLUTION METHOD FOR AXIS CHIRAL ENANTIOMERS OF LESINURAD CHINA RESOURCES SAIKE PHARMACEUTICAL CO., LTD (CN) 2021-02-25 US disclosed
CN-110467580-B Resolution method of Raxinard axis chiral enantiomer 华润赛科药业有限责任公司 2020-11-13 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-111153862-A Raisinard refining method 北京鑫开元医药科技有限公司海南分公司 2020-05-15 CN disclosed
CN-105263913-A Thio-1,2,4-triazole derivatives and method for preparing the same SUNSHINE LAKE PHARMA CO LTD 2016-01-20 CN disclosed
US-20150252010-A1 MANUFACTURE OF 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID ARDEA BIOSCIENCES, INC. 2015-09-10 US disclosed
US-20150252010-A1 MANUFACTURE OF 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID ARDEA BIOSCIENCES, INC. 2015-09-10 US disclosed
US-20150252010-A1 MANUFACTURE OF 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID ARDEA BIOSCIENCES, INC. 2015-09-10 US disclosed
EP-2870142-A1 MANUFACTURE OF 2- (5- BROMO-4- (4-CYCLOPROPYLNAPHTHALEN-1-YL) -4H-1,2,4-TRIAZOL-3-YLTHIO) ACETIC ACID Ardea Biosciences, Inc. (US) 2015-05-13 EP disclosed
WO-2014198241-A1 THIO-1,2,4-TRIAZOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-12-18 WO disclosed
WO-2014198241-A1 THIO-1,2,4-TRIAZOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-12-18 WO disclosed
WO-2014008295-A1 MANUFACTURE OF 2- (5- BROMO-4 (-CYCLOPROPYLNAPHTHALEN-1-YL) -4H-1,2,4-TRIAZOL-3-YLTHIO) ACETIC ACID ARDEA BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2014008295-A1 MANUFACTURE OF 2- (5- BROMO-4 (-CYCLOPROPYLNAPHTHALEN-1-YL) -4H-1,2,4-TRIAZOL-3-YLTHIO) ACETIC ACID ARDEA BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2007050087-A1 N[S(4-aryl-triazol-3-yl)α -mercaptoacetyl]-p-amino benozoic acids AS HIV REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2007-05-03 WO 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 (3 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-20150252010-A1 MANUFACTURE OF 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID CYP1B1, ABAT, ALDH18A1 SLC22A12 3336/4885CYP2C9 51/4885CYP2C19 72/4885
US-20210053928-A1 RESOLUTION METHOD FOR AXIS CHIRAL ENANTIOMERS OF LESINURAD CLK4, CLK1, CLK3 SLC22A12 4629/4885CYP2C9 1592/4885CYP2C19 2093/4885
US-11365180-B2 Resolution method for axis chiral enantiomers of lesinurad CLK4, CLK1, CLK3 SLC22A12 4629/4885CYP2C9 1592/4885CYP2C19 2093/4885

“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.