SCHEMBL459545

SCHEMBL459545

C=C(C)COc1ccc(-c2nc(C)c(C(=O)OCC)s2)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ PGR P06401 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ PDE4A P27815 1/20 0.59
▸ BLVRB P30043 1/20 0.59
▸ TARBP2 Q15633 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ CDC7 O00311 2/20 0.50
▸ DBF4 Q9UBU7 2/20 0.50
▸ PPID Q08752 1/20 0.48
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ TRPM8 Q7Z2W7 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
SCHEMBL19523342 0.90 XDH (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL458333 0.89 XDH (0.73) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29103934 0.87 XDH (0.73) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523349 0.86 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29655618 0.85 XDH (0.80) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29183639 0.85 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL30804888 0.85 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31601 0.85 XDH (0.80) XDHABCC4ABCB11PGRCHRM1
SCHEMBL30804881 0.85 XDH (0.59) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29183565 0.85 XDH (0.59) XDHABCC4ABCB11PGRCHRM1

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 14 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

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 36/4885ABCC4 4462/4885ABCB11 3777/4885
US-20130165662-A1 PREPARATION OF FEBUXOSTAT FIP1L1, FECH, FBP1 XDH 36/4885ABCC4 4462/4885ABCB11 3777/4885

“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.

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