SCHEMBL470772

SCHEMBL470772

Cc1nc(-c2ccc(OCC(C)C)c(-c3nc(C)c(C(=O)O)s3)c2)sc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.74
TARBP2 Q15633 2/20 0.74
ABCC4 O15439 1/20 0.74
ABCB11 O95342 1/20 0.74
PGR P06401 1/20 0.74
CHRM1 P11229 1/20 0.74
PDE4A P27815 1/20 0.74
BLVRB P30043 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
ABCG2 Q9UNQ0 1/20 0.74
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
PPID Q08752 1/20 0.49
ALDH1A1 P00352 1/20 0.46
NR1H4 Q96RI1 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL15130542 0.90 XDH (0.62) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL21156694 0.90 XDH (0.75) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL15131876 0.89 XDH (0.62) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL2635918 0.89 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL31066924 0.89 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL459923 0.88 XDH (0.58) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL20590214 0.88 XDH (0.64) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867538 0.88 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867461 0.88 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL878644 0.88 XDH (0.72) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141658-A1 PREPARATION OF FEBUXOSTAT REDDYS LAB LTD DR (IN) 2015-05-21 US disclosed
US-20150141658-A1 PREPARATION OF FEBUXOSTAT REDDYS LAB LTD DR (IN) 2015-05-21 US disclosed
US-8969582-B2 Preparation of febuxostat DR. REDDY'S LABORATORIES LTD. (IN) 2015-03-03 US disclosed
US-8969582-B2 Preparation of febuxostat DR. REDDY'S LABORATORIES LTD. (IN) 2015-03-03 US disclosed
US-20140051733-A1 FEBUXOSTAT PHARMACEUTICAL COMPOSITIONS DR. REDDY'S LABORATORIES LTD. (IN) 2014-02-20 US disclosed
US-20140051733-A1 FEBUXOSTAT PHARMACEUTICAL COMPOSITIONS DR. REDDY'S LABORATORIES LTD. (IN) 2014-02-20 US disclosed
US-20130190366-A1 SUBSTANTIALLY PURE SALTS OF FEBUXOSTAT AND PROCESSES FOR PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2013-07-25 US disclosed
US-20130165662-A1 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 US disclosed
US-20130165662-A1 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 US disclosed
WO-2011139886-A2 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES LTD. (IN) 2011-11-10 WO disclosed
WO-2011101867-A2 SUBSTANTIALLY PURE SALTS OF FEBUXOSTAT AND PROCESSES FOR PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-08-25 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 (4 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-20140051733-A1 FEBUXOSTAT PHARMACEUTICAL COMPOSITIONS FIP1L1, XDH, FH XDH 2/4885TARBP2 671/4885ABCC4 480/4885
US-20150141658-A1 PREPARATION OF FEBUXOSTAT FIP1L1, FECH, FBP1 XDH 36/4885TARBP2 2072/4885ABCC4 4462/4885
US-20130190366-A1 SUBSTANTIALLY PURE SALTS OF FEBUXOSTAT AND PROCESSES FOR PREPARATION THEREOF KCNMB4, SOD1, KCNN4 XDH 29/4885TARBP2 2080/4885ABCC4 1074/4885
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.