SCHEMBL1336381

SCHEMBL1336381

CC(C)(C)C(C#N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A5 Q01650 1/20 0.31

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
Bicarbonate SCHEMBL11385004 0.97 DPP4 (0.35) DPP4ALDH1A1MAPTPTGS1
SCHEMBL3766237 0.83 DPP4 (0.39) DPP4
SCHEMBL2010922 0.83 DPP4 (0.33) DPP4ALDH1A1
SCHEMBL2010918 0.83 DPP4 (0.33) DPP4ALDH1A1
SCHEMBL19391257 0.80 DPP4 (0.31) DPP4ALDH1A1MAPTPTGS1
SCHEMBL11120681 0.80 ALDH1A1 (0.33) DPP4ALDH1A1MAPTPTGS1
SCHEMBL7241497 0.79 DPP4 (0.36) DPP4
SCHEMBL29956950 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL25101420 0.77 DPP4 (0.35) DPP4
SCHEMBL5516754 0.77 DPP4 (0.35) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268589-B1 SIZING COMPOSITION FOR MINERAL FIBERS AND RESULTING PRODUCTS SAINT GOBAIN ISOVER (FR) 2018-06-13 EP claimed
CN-105130908-B The preparation method and its synthetic intermediate of the cyano methyl pyrimidine of 4,6 dialkoxy 2 组合化学工业株式会社 2018-03-27 CN claimed
EP-2349944-B1 PROCESS FOR MANUFACTURING INSULATION PRODUCTS BASED ON MINERAL WOOL, AND PRODUCTS OBTAINED SAINT GOBAIN ISOVER (FR) 2017-05-17 EP claimed
CN-102596843-B Comprise mineral fibres pad and the manufacture method of the reagent that can capture formaldehyde 圣戈班艾德福斯公司 2016-11-02 CN claimed
CN-105130908-A Method for producing 4,6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof IHARA CHEMICAL IND CO 2015-12-09 CN claimed
CN-102666741-B Comprise mineral fibre pad and the manufacture method of the reagent that can trap formaldehyde SAINT-GOBAIN ADFORS (FR) 2015-09-23 CN claimed
CN-102548972-B Preparation method of 4, 6-dialkoxy-2-cyanomethylpyrimidine and synthetic intermediate thereof IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) 2015-08-19 CN claimed
CN-104402763-A Preparation method of environment-friendly type alpha-cyanoacrylate CHEMICAL BRANCH SHANDONG YUWANG IND CO LTD 2015-03-11 CN claimed
US-20110272621-A1 PROCESS FOR MANUFACTURING INSULATION PRODUCTS BASED ON MINERAL WOOL, AND PRODUCTS OBTAINED SAINT-GOBAIN ISOVER (FR) 2011-11-10 US claimed
US-20110111226-A1 SIZING COMPOSITION FOR MINERAL FIBERS AND RESULTING PRODUCTS SAINT- GOBAIN ISOVER (FR) 2011-05-12 US claimed
EP-1611103-A1 PROCESS FOR THE SYNTHESIS OF 3-CYANO-6-ALKOXY-7-NITRO-4-QUINOLINES Wyeth Holdings Corporation (US) 2006-01-04 EP claimed
US-6933388-B2 Process for the synthesis of 3-cyano-6-alkoxy-7-nitro-4-quinolones WYETH HOLDINGS CORPORATION (US) 2005-08-23 US claimed
WO-2004092138-A1 PROCESS FOR THE SYNTHESIS OF 3-CYANO-6-ALKOXY-7-NITRO-4-QUINOLINES WYETH HOLDINGS CORPORATION (US) 2004-10-28 WO claimed
US-20040204587-A1 Process for the synthesis of 3-cyano-6-alkoxy-7-nitro-4-quinolones WYETH HOLDINGS CORPORATION 2004-10-14 US claimed
CN-1153762-C Process for producing N- [1- (2, 4-dichlorophenyl) ethyl ] -2-cyano-3, 3-dimethylbutanamide 住友化学工业株式会社 2004-06-16 CN claimed
EP-0938509-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2002-11-20 EP claimed
US-6037340-A HAVE BIOLOGICAL ACTIVITY INCLUDING ANTI-CANCER ACTIVITY CADUS PHARMACEUTICAL CORPORATION (US) 2000-03-14 US claimed
WO-1998054116-A1 SYNTHESIS AND USE OF THIOPHENE- AND PYRROLE-BASED HETEROAROMATIC COMPOUNDS CADUS PHARMACEUTICAL CORPORATION (US) 1998-12-03 WO claimed
CN-1131146-A Process for producing N- [1- (2, 4-dichlorophenyl) ethyl ] -2-cyano-3, 3-dimethylbutanamide SUMITOMO CHEMICAL CO (JP) 1996-09-18 CN claimed
EP-0236673-B1 Process for quinoline-3-carboxylic acid antibacterial agents WARNER LAMBERT CO (US) 1994-07-13 EP claimed

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-20040204587-A1 Process for the synthesis of 3-cyano-6-alkoxy-7-nitro-4-quinolones DTYMK, DCK, TNK1 DPP4 1259/4885ALDH1A1 3101/4885MAPT 4415/4885

“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.