SCHEMBL469731

SCHEMBL469731

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.58
DBF4 Q9UBU7 6/20 0.58
XDH P47989 3/20 0.53
ABCC4 O15439 1/20 0.53
ABCB11 O95342 1/20 0.53
PGR P06401 1/20 0.53
CHRM1 P11229 1/20 0.53
PDE4A P27815 1/20 0.53
BLVRB P30043 1/20 0.53
TARBP2 Q15633 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
TRPM8 Q7Z2W7 6/20 0.52
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL30804867 1.00 CDC7 (0.58) CDC7DBF4XDHABCC4ABCB11
SCHEMBL19523342 0.87 XDH (0.65) CDC7DBF4XDHABCC4ABCB11
SCHEMBL19523349 0.87 XDH (0.60) CDC7DBF4XDHABCC4ABCB11
SCHEMBL28504761 0.85 XDH (0.57) CDC7DBF4XDHABCC4ABCB11
SCHEMBL25083600 0.84 XDH (0.56) XDHABCC4ABCB11PGRCHRM1
SCHEMBL12186978 0.84 CDC7 (0.64) CDC7DBF4TRPM8MAPTKDM4E
SCHEMBL438271 0.84 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL28488461 0.84 XDH (0.44) CDC7DBF4XDHABCC4ABCB11
SCHEMBL20195691 0.84 CDC7 (0.55) CDC7DBF4XDHABCC4ABCB11
SCHEMBL8868180 0.84 XDH (0.77) CDC7DBF4XDHABCC4ABCB11

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 50 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-117777050-A Febuxostat 4-position ether derivative and pharmaceutical composition, preparation method and application thereof 广西师范大学 2024-03-29 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-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
WO-2014057461-A1 PROCESS FOR THE PREPARATION OF CRYSTALLINE FORM G OF FEBUXOSTAT RANBAXY LABORATORIES LIMITED (IN) 2014-04-17 WO claimed
CN-119350357-A Phenyl ether compound containing hexahydrofuro [3,2-b ] furan structure and application thereof 沈阳药科大学 2025-01-24 CN disclosed
CN-115772137-B Preparation method of febuxostat 济宁晟泰药业有限公司 2024-05-10 CN disclosed
CN-117777050-A Febuxostat 4-position ether derivative and pharmaceutical composition, preparation method and application thereof 广西师范大学 2024-03-29 CN disclosed
CN-115772137-A Preparation method of febuxostat 济宁晟泰药业有限公司 2023-03-10 CN disclosed
CN-109444304-B HPLC (high performance liquid chromatography) detection method for febuxostat and related impurities thereof 湖南新领航检测技术有限公司 2021-12-14 CN disclosed
CN-109320474-B Preparation method of febuxostat 昆明源瑞制药有限公司 2021-06-29 CN disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN disclosed
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
WO-2011031409-A1 PROCESSES FOR PREPARING FEBUXOSTAT TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-03-17 WO disclosed
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 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-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN CDC7 4460/4885DBF4 1750/4885XDH 1/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA CDC7 4717/4885DBF4 2805/4885XDH 1/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN CDC7 4460/4885DBF4 1750/4885XDH 1/4885

“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.