SCHEMBL459923

SCHEMBL459923

CCOC(=O)c1sc(-c2ccc(OCC(C)C)c(-c3nc(C)c(C(=O)OCC)s3)c2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.58
TARBP2 Q15633 2/20 0.58
ABCC4 O15439 1/20 0.58
ABCB11 O95342 1/20 0.58
PGR P06401 1/20 0.58
CHRM1 P11229 1/20 0.58
PDE4A P27815 1/20 0.58
BLVRB P30043 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
CDC7 O00311 6/20 0.55
DBF4 Q9UBU7 6/20 0.55
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PPID Q08752 1/20 0.47
TRPM8 Q7Z2W7 6/20 0.46
MAPT P10636 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
SCHEMBL15131876 0.90 XDH (0.62) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL469542 0.88 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867176 0.88 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL455907 0.88 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL470772 0.88 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL457516 0.87 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8869214 0.87 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL29555300 0.87 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL458831 0.87 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12816887 0.86 XDH (0.55) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011139886-A2 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES LTD. (IN) 2011-11-10 WO claimed
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-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-8969582-B2 Preparation of febuxostat DR. REDDY'S LABORATORIES LTD. (IN) 2015-03-03 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
US-20130165662-A1 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 US disclosed
EP-2563768-A2 PREPARATION OF FEBUXOSTAT Dr. Reddy's Laboratories Ltd. (IN) 2013-03-06 EP disclosed
WO-2011139886-A2 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES LTD. (IN) 2011-11-10 WO disclosed
WO-2011139886-A2 PREPARATION OF FEBUXOSTAT DR. REDDY'S LABORATORIES LTD. (IN) 2011-11-10 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 (2 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-20150141658-A1 PREPARATION OF FEBUXOSTAT FIP1L1, FECH, FBP1 XDH 36/4885TARBP2 2072/4885ABCC4 4462/4885
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.