SCHEMBL2636175

SCHEMBL2636175

CC(C)COc1ccc(C#N)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ XDH P47989 6/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ AR P10275 1/20 0.39
▸ SLC6A9 P48067 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ NR3C1 P04150 1/20 0.38

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
SCHEMBL27920110 0.84 XDH (0.43) FFAR1XDHAR
SCHEMBL31019133 0.82 XDH (0.53) XDHSLC22A12
SCHEMBL2344031 0.82 XDH (0.53) XDHSLC22A12
SCHEMBL12455378 0.82 MRGPRX4 (0.48) ALDH1A1GAAXDHSLC22A12AR
SCHEMBL944720 0.81 TRPV4 (0.53) ALDH1A1GAAFFAR1AR
SCHEMBL3746804 0.81 AR (0.50) ALDH1A1GAAFFAR1XDHAR
SCHEMBL27750629 0.81 ALDH1A1 (0.42) ALDH1A1GAAXDHSLC22A12SLC6A9
SCHEMBL17309854 0.81 SLC6A9 (0.47) ALDH1A1GAAXDHSLC22A12AR
SCHEMBL6627537 0.81 AR (0.40) ALDH1A1GAAFFAR1ARNR3C1
SCHEMBL11398569 0.80 FFAR1 (0.42) ALDH1A1FFAR1ARKCNH2

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
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-101863854-A Synthesis method of 2-(3-cyan-4-isobutoxy) phenyl-4-methyl-5-thiazole formic acid UNIV SHENYANG PHARMACEUTICAL 2010-10-20 — — CN claimed
CN-103333134-B 2-(3-cyano group-4-alkoxyl group) phenyl-4-substituted thiazole-5-formic acid compound, composition and method of making the same and purposes SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-02-24 — — CN disclosed
CN-102276550-B The synthetic method of 2-aryl nitrile thiazole derivative and intermediate thereof JIUZHOU PHARMACEUTICAL CO., LTD., ZHEJIANG (CN) 2015-08-19 — — 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
EP-2763675-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS Mapi Pharma Limited (IL) 2014-08-13 — — EP disclosed
CN-103333134-A 2-(3-cyano-4-alkoxy) phenyl-4-substituted thiazole-5-formic acid compound, composition as well as preparation methods and applications thereof UNIV SHENYANG PHARMACEUTICAL 2013-10-02 — — CN disclosed
WO-2013050996-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS MAPI PHARMA LTD. (IL) 2013-04-11 — — WO disclosed
CN-102276550-A Method for synthesizing 2-aryl nitrile thiazole derivative and intermediate thereof — 2011-12-14 — — CN 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
EP-2266966-A1 A process for the preparation of febuxostat Chemo Ibérica, S.A. (ES) 2010-12-29 — — EP disclosed
WO-2010142653-A1 A PROCESS FOR THE PREPARATION OF FEBUXOSTAT CHEMO IBÉRICA, S.A. (ES) 2010-12-16 — — WO disclosed
CN-101863854-A Synthesis method of 2-(3-cyan-4-isobutoxy) phenyl-4-methyl-5-thiazole formic acid UNIV SHENYANG PHARMACEUTICAL 2010-10-20 — — CN disclosed
CN-101863854-A Synthesis method of 2-(3-cyan-4-isobutoxy) phenyl-4-methyl-5-thiazole formic acid UNIV SHENYANG PHARMACEUTICAL 2010-10-20 — — CN 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 (1 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-20140228417-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS XDH, NLRP3, PNPO ALDH1A1 241/4885GAA 713/4885FFAR1 240/4885

“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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