SCHEMBL469541

SCHEMBL469541

CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([N+](=O)[O-])c2)nc1C

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.54
TARBP2 Q15633 2/20 0.54
ABCC4 O15439 1/20 0.54
ABCB11 O95342 1/20 0.54
PGR P06401 1/20 0.54
CHRM1 P11229 1/20 0.54
PDE4A P27815 1/20 0.54
BLVRB P30043 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
PPID Q08752 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL8868737 0.95 XDH (0.55) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867957 0.91 XDH (0.51) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867804 0.89 XDH (0.67) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8866949 0.88 CDC7 (0.52) XDHCDC7DBF4LMNA
SCHEMBL8868456 0.86 CDC7 (0.50) CDC7DBF4LMNA
SCHEMBL8867675 0.86 CDC7 (0.50) CDC7DBF4LMNA
SCHEMBL8868452 0.86 CDC7 (0.49) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL459923 0.85 XDH (0.58) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8868127 0.84 CDC7 (0.54) CDC7DBF4LMNA
SCHEMBL455907 0.84 XDH (0.57) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320474-B Preparation method of febuxostat 昆明源瑞制药有限公司 2021-06-29 CN disclosed
CN-106661014-B Azole benzene derivative and crystal thereof 帝人制药株式会社 2019-12-24 CN disclosed
US-10179780-B2 Azole benzene derivative and crystalline form thereof TEIJIN PHARMA LIMITED (JP) 2019-01-15 US disclosed
EP-3176166-B1 AZOLE BENZENE DERIVATIVE AND CRYSTAL THEREOF TEIJIN PHARMA LTD (JP) 2018-11-28 EP disclosed
US-20170247364-A1 AZOLE BENZENE DERIVATIVE AND CRYSTALLINE FORM THEREOF TEIJIN PHARMA LIMITED (JP) 2017-08-31 US disclosed
EP-3176166-A1 AZOLE BENZENE DERIVATIVE AND CRYSTAL THEREOF Teijin Pharma Limited (JP) 2017-06-07 EP disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
CN-102936230-A New preparation method of febuxostat Ge changle 2013-02-20 CN disclosed
CN-102002017-B Method for preparing febuxostat intermediate BEIJING SECOND PHARMACEUTICAL CO LTD 2012-09-26 CN disclosed
WO-2012073259-A1 NOVEL PROCESS FOR THE PREPARATION OF FEBUXOSTAT INDOCO REMEDIES LIMITED (IN) 2012-06-07 WO disclosed
WO-2012073259-A1 NOVEL PROCESS FOR THE PREPARATION OF FEBUXOSTAT INDOCO REMEDIES LIMITED (IN) 2012-06-07 WO disclosed
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 disclosed
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 disclosed
US-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 EP 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-20170247364-A1 AZOLE BENZENE DERIVATIVE AND CRYSTALLINE FORM THEREOF XDH, NOD1, NLRP3 XDH 1/4885TARBP2 2820/4885ABCC4 358/4885
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE FIP1L1, UMPS, UBXN4 XDH 55/4885TARBP2 2807/4885ABCC4 1420/4885
US-10179780-B2 Azole benzene derivative and crystalline form thereof XDH, NOD1, NLRP3 XDH 1/4885TARBP2 2820/4885ABCC4 358/4885

“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.