SCHEMBL2344031

SCHEMBL2344031

CC(C)COc1ccc(C#N)cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 7/20 0.53
▸ SLC22A12 Q96S37 1/20 0.53
▸ ABCC4 O15439 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ BLVRB P30043 1/20 0.47
▸ TARBP2 Q15633 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ABCG2 Q9UNQ0 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
SCHEMBL31019133 1.00 XDH (0.53) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL2641631 0.86 XDH (0.41) XDHSLC22A12
SCHEMBL31573 0.85 XDH (0.69) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL13182575 0.83 XDH (0.53) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL12455378 0.83 MRGPRX4 (0.48) XDHSLC22A12ABCC4ABCB11PGR
SCHEMBL28291444 0.83 ALDH1A1 (0.45) XDHSLC22A12
SCHEMBL6052309 0.82 ALDH1A1 (0.63) XDHSLC22A12
SCHEMBL31571 0.82 AAK1 (0.57) XDHSLC22A12
SCHEMBL2636175 0.82 ALDH1A1 (0.42) XDHSLC22A12
SCHEMBL3746804 0.82 AR (0.50) XDH

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620829-B Febuxostat intermediate compound 鲁南制药集团股份有限公司 2024-05-31 — — CN claimed
CN-113620829-A Febuxostat intermediate compound 鲁南制药集团股份有限公司 2021-11-09 — — CN claimed
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 claimed
CN-113620829-B Febuxostat intermediate compound 鲁南制药集团股份有限公司 2024-05-31 — — CN disclosed
CN-113620829-B Febuxostat intermediate compound 鲁南制药集团股份有限公司 2024-05-31 — — CN disclosed
CN-113620832-A Preparation method of febuxostat intermediate 鲁南制药集团股份有限公司 2021-11-09 — — CN disclosed
CN-113620832-A Preparation method of febuxostat intermediate 鲁南制药集团股份有限公司 2021-11-09 — — CN disclosed
CN-113620829-A Febuxostat intermediate compound 鲁南制药集团股份有限公司 2021-11-09 — — CN disclosed
CN-113620829-A Febuxostat intermediate compound 鲁南制药集团股份有限公司 2021-11-09 — — CN disclosed
CN-103175905-B Method for determining impurities in febuxostat and its preparation through high performance liquid chromatography BEIJING BENCAO TIANYUAN PHARMACEUTICAL RES INST 2015-07-15 — — CN disclosed
US-20140228417-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS MAPI PHARMA LTD. (IL) 2014-08-14 — — US 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
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
WO-2011101867-A2 SUBSTANTIALLY PURE SALTS OF FEBUXOSTAT AND PROCESSES FOR PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-08-25 — — WO disclosed
WO-2011101867-A2 SUBSTANTIALLY PURE SALTS OF FEBUXOSTAT AND PROCESSES FOR PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-08-25 — — WO disclosed
EP-1471065-B1 NOVEL 1,2,4-TRIAZOLE COMPOUND FUJI YAKUHIN CO LTD (JP) 2008-02-27 — — EP disclosed
US-7074816-B2 1 2 4-triazole compound FUJI YAKUHIN CO., LTD. (JP) 2006-07-11 — — US disclosed
US-20050004175-A1 Novel 1 2 4-triazole compound FUJI YAKUHIN CO., LTD. (JP) 2005-01-06 — — US disclosed
EP-1471065-A1 NOVEL 1,2,4-TRIAZOLE COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2004-10-27 — — 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 (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-20050004175-A1 Novel 1 2 4-triazole compound XDH, PNPO, NOX1 XDH 1/4885SLC22A12 1309/4885ABCC4 416/4885
US-20140228417-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS XDH, NLRP3, PNPO XDH 1/4885SLC22A12 1390/4885ABCC4 2113/4885

“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.

Send feedback