SCHEMBL31601

SCHEMBL31601

CCOC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.80
TARBP2 Q15633 2/20 0.80
ABCC4 O15439 1/20 0.80
ABCB11 O95342 1/20 0.80
PGR P06401 1/20 0.80
CHRM1 P11229 1/20 0.80
PDE4A P27815 1/20 0.80
BLVRB P30043 1/20 0.80
HDAC6 Q9UBN7 1/20 0.80
ABCG2 Q9UNQ0 1/20 0.80
PPID Q08752 1/20 0.64
S1PR1 P21453 1/20 0.51
CDC7 O00311 1/20 0.51
DBF4 Q9UBU7 1/20 0.51
SLC22A12 Q96S37 1/20 0.50

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
SCHEMBL29655618 1.00 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL2635992 0.92 XDH (0.83) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL22745328 0.92 XDH (0.76) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL19523342 0.91 XDH (0.65) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL19523355 0.90 XDH (0.68) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL458064 0.90 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL22745409 0.90 XDH (0.73) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL29103934 0.90 XDH (0.73) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL29323469 0.89 XDH (0.81) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL30050323 0.89 XDH (0.75) XDHTARBP2ABCC4ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115772137-B Preparation method of febuxostat 济宁晟泰药业有限公司 2024-05-10 CN claimed
CN-117924211-A Preparation method of febuxostat 哈药集团技术中心 2024-04-26 CN claimed
CN-112142685-B Improved method for synthesizing febuxostat key intermediate 北京鑫开元医药科技有限公司 2023-04-18 CN claimed
CN-115772137-A Preparation method of febuxostat 济宁晟泰药业有限公司 2023-03-10 CN claimed
CN-115561373-A Method for detecting febuxostat content and related substances 河北冀衡药业股份有限公司 2023-01-03 CN claimed
CN-109293597-B Preparation method of febuxostat 安徽省庆云医药股份有限公司 2022-05-10 CN claimed
CN-109320474-B Preparation method of febuxostat 昆明源瑞制药有限公司 2021-06-29 CN claimed
CN-109503513-B One-pot synthesis method of febuxostat intermediate 嘉实(湖南)医药科技有限公司 2020-09-25 CN claimed
CN-111499593-A Synthesis process of febuxostat 峨眉山宏昇药业股份有限公司 2020-08-07 CN claimed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
US-20130165662-A1 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 US claimed
EP-2563768-A2 PREPARATION OF FEBUXOSTAT Dr. Reddy's Laboratories Ltd. (IN) 2013-03-06 EP claimed
EP-2536699-A2 SUBSTANTIALLY PURE SALTS OF FEBUXOSTAT AND PROCESSES FOR PREPARATION THEREOF Cadila Healthcare Limited (IN) 2012-12-26 EP claimed
WO-2012131590-A1 AN IMPROVED PROCESS FOR PREPARATION OF FEBUXOSTAT AND ITS POLYMORPHIC CRYSTALLINE FORM C THEREOF SANDOZ AG (CH) 2012-10-04 WO claimed
WO-2012048861-A1 A NOVEL FEBUXOSTAT CRYSTALLINE FORM AND THE PROCESS FOR THE PREPARATION THEREOF GADOR S.A. (AR) 2012-04-19 WO claimed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO claimed
WO-2011141933-A2 PROCESS FOR PREPARATION OF 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYLTHIAZOLE-5-CARBOXYLIC ACID AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2011-11-17 WO claimed
WO-2011139886-A2 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES LTD. (IN) 2011-11-10 WO claimed
WO-2011101867-A2 SUBSTANTIALLY PURE SALTS OF FEBUXOSTAT AND PROCESSES FOR PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-08-25 WO claimed
CN-102002016-A Improvement method for synthesizing febuxostat BEIJING MEIDI KANGXIN MEDICAL TECHNOLOGY CO LTD 2011-04-06 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130165662-A1 PREPARATION OF FEBUXOSTAT FIP1L1, FECH, FBP1 XDH 36/4885TARBP2 2072/4885ABCC4 4462/4885

“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.