SCHEMBL4736112

SCHEMBL4736112

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.75
CYP2C9 P11712 3/20 0.75
CYP2C19 P33261 3/20 0.75
CYP1A2 P05177 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2D6 P10635 2/20 0.75
SLC22A11 Q9NSA0 1/20 0.75
SLC2A9 Q9NRM0 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 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
SCHEMBL1299697 0.91 SLC22A12 (0.67) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1299869 0.90 SLC22A12 (0.67) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL249022 0.90 SLC22A12 (0.78) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL28666416 0.89 SLC22A12 (0.59) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL19987624 0.89 SLC22A12 (0.79) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4736111 0.89 SLC22A12 (0.65) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL19847781 0.89 SLC22A12 (0.75) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4735901 0.89 SLC22A12 (0.58) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL13445169 0.88 SLC22A12 (0.78) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4736291 0.88 SLC22A12 (0.60) 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017036884-A1 A LESINURAD, FREE FORM / LESINURAD ETHYL ESTER CO-CRYSTAL SANDOZ AG (CH) 2017-03-09 WO claimed
EP-3279188-B1 AXIALLY CHIRAL ISOMERS, AND PREPARATION METHODS THEREFOR AND PHARMACEUTICAL USES THEREOF MEDSHINE DISCOVERY INC (CN) 2020-09-09 EP disclosed
EP-3281941-B1 PROCESS FOR PREPARING 2-(5-BROMO-4-(1-CYCLOPROPYLNAPHTHALEN-4-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID ZENTIVA KS (CZ) 2019-07-24 EP disclosed
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use ARDEA BIOSCIENCES INC. 2019-05-16 US disclosed
US-10183915-B2 Axially chiral isomers, and preparation methods therefor and pharmaceutical uses thereof MEDSHINE DISCOVERY INC. (CN) 2019-01-22 US disclosed
US-10183012-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2019-01-22 US disclosed
US-20180079731-A1 AXIALLY CHIRAL ISOMERS, AND PREPARATION METHODS THEREFOR AND PHARMACEUTICAL USES THEREOF MEDSHINE DISCOVERY INC. (CN) 2018-03-22 US disclosed
US-20180079731-A1 AXIALLY CHIRAL ISOMERS, AND PREPARATION METHODS THEREFOR AND PHARMACEUTICAL USES THEREOF MEDSHINE DISCOVERY INC. (CN) 2018-03-22 US disclosed
EP-3281941-A1 PROCESS FOR PREPARING 2-(5-BROMO-4-(1-CYCLOPROPYLNAPHTHALEN-4-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID Zentiva K.S. (CZ) 2018-02-14 EP disclosed
EP-3279188-A1 AXIALLY CHIRAL ISOMERS, AND PREPARATION METHODS THEREFOR AND PHARMACEUTICAL USES THEREOF Medshine Discovery Inc. (CN) 2018-02-07 EP 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
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 (9 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-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP2C9 1526/4885CYP2C19 1696/4885
US-10183012-B2 Compounds and compositions and methods of use XDH, PON1, OAT SLC22A12 815/4885CYP2C9 762/4885CYP2C19 905/4885
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP2C9 1526/4885CYP2C19 1696/4885
US-20180079731-A1 AXIALLY CHIRAL ISOMERS, AND PREPARATION METHODS THEREFOR AND PHARMACEUTICAL USES THEREOF CYP4F11, CYP4A11, SLC39A11 SLC22A12 307/4885CYP2C9 230/4885CYP2C19 245/4885
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-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885CYP2C9 1526/4885CYP2C19 1696/4885
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use XDH, PON1, GLS SLC22A12 1122/4885CYP2C9 1526/4885CYP2C19 1696/4885
US-10183915-B2 Axially chiral isomers, and preparation methods therefor and pharmaceutical uses thereof CYP4F11, CYP4A11, SLC39A11 SLC22A12 307/4885CYP2C9 230/4885CYP2C19 245/4885

“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.