Sugi Predict

Sugi Predict / Compounds / SCHEMBL182386

SCHEMBL182386

SCHEMBL182386

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 4/20 0.39
▸ CTSK P43235 10/20 0.39
▸ CTSS P25774 10/20 0.39
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ DGAT1 O75907 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL28508164 0.83 MCL1 (0.39) ALDH1A1MEN1MAPTKMT2AMCL1
SCHEMBL2225121 0.83 ALDH1A1 (0.37) ALDH1A1MEN1MAPTKMT2AMCL1
SCHEMBL20938111 0.80 MCL1 (0.38) ALDH1A1MEN1MAPTKMT2AMCL1
SCHEMBL9177925 0.80 CTSS (0.36) ALDH1A1MEN1MAPTKMT2AMCL1
SCHEMBL28458032 0.80 CTSK (0.36) ALDH1A1MEN1MAPTKMT2AMCL1
SCHEMBL11185185 0.79 MCL1 (0.40) ALDH1A1MEN1MAPTKMT2AMCL1
SCHEMBL27659486 0.79 CTSS (0.35) ALDH1A1MEN1MAPTKMT2ACTSK
SCHEMBL782292 0.78 CTSS (0.35) ALDH1A1MEN1MAPTKMT2AMCL1
SCHEMBL7525865 0.78 ALDH1A1 (0.35) ALDH1A1MEN1MAPTKMT2AMCL1
SCHEMBL10356266 0.78 DGAT1 (0.34) ALDH1A1MEN1MAPTKMT2ACTSK

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 1683 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346555-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE HUNAN XIANGZHONG PHARMACEUTICAL CO LTD (CN) 2025-11-13 — — US claimed
CN-120136757-A Synthesis method of 6-hydroxy-2-azaspiro [3.3] heptane compounds 浙江中科创越药业有限公司 2025-06-13 — — CN claimed
CN-119977960-A Cyano-substituted heteroaromatic ring derivatives, pharmaceutical compositions containing same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-05-13 — — CN claimed
CN-119954709-A Preparation method of sulfoxide compound, aniline compound and preparation method of aniline compound 帕潘纳(北京)科技有限公司 2025-05-09 — — CN claimed
CN-119661371-A Preparation method of 2-fluoro-4-methylaniline 帕潘纳(北京)科技有限公司 2025-03-21 — — CN claimed
CN-119431324-A 1- (4/5-Cyano-6-substituted pyrimidine-2-yl) -1H-pyrazole-4-formic acid compound, and preparation method and application thereof 沈阳药科大学 2025-02-14 — — CN claimed
US-20250038256-A1 NITRILE ADDITIVES FOR ELECTROLYTES OF BATTERIES INCLUDING LITHIUM- AND MANGANESE-RICH POSITIVE ELECTRODES GM Global Technology Operations LLC 2025-01-30 — — US claimed
CN-119315086-A Nitrile additives for electrolytes of batteries including lithium-rich manganese positive electrodes 通用汽车环球科技运作有限责任公司 2025-01-14 — — CN claimed
US-12187829-B2 Environmentally biodegradable microcapsules TRUCAPSOL LLC (US) 2025-01-07 — — US claimed
CN-116621732-B 2-Cyano-2-valproate and preparation method and application thereof 湖南大学 2024-12-24 — — CN claimed
EP-2066675-A1 PROCESS FOR THE PREPARATION OF 4-HYDROXYTHIENO[2,3-B]PYRIDINE-5-CARBONITRILES Wyeth (US) 2009-06-10 — — EP claimed
CN-101219967-A Process for producing 2-nitryl substituted benzene ethane nitrile compounds SHANGHAI INST TECHNOLOGY (CN) 2008-07-16 — — CN claimed
WO-2008039414-A1 PROCESS FOR THE PREPARATION OF 4-HYDROXYTHIENO[2,3-B]PYRIDINE-5-CARBONITRILES WYETH (US) 2008-04-03 — — WO claimed
US-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles WYETH 2008-03-27 — — US claimed
CN-100376558-C Process for the synthesis of 3-cyano-6-alkoxy-7-nitro-4-quinolones WYETH CORP (US) 2008-03-26 — — CN claimed
CN-1771230-A Synthesis method of 3-cyano-6-alkoxy-7-nitro-4-quinoline WYETH CORP (US) 2006-05-10 — — CN claimed
US-6696552-B2 AMIDATION BETWEEN PRIMARY AMINE AND ESTER HAVING ELECTRON WITHDRAWING FUNCTIONALITY; CYCLIZATION WITH KETO ESTER XEROX CORPORATION 2004-02-24 — — US claimed
US-20040006234-A1 PROCESS FOR PREPARING SUBSTITUTED PYRIDONE COMPOUNDS XEROX CORPORATION 2004-01-08 — — US claimed
US-4772706-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1988-09-20 — — US claimed
CN-87100298-A Improving one's methods of preparation quinoline-3-carboxylic acid antiseptic-germicide — 1987-08-19 — — CN 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 (3 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-20250346555-A1 METHOD FOR CO-PRODUCING VALPROAMIDE AND SODIUM VALPROATE ADH1A, CA3, HDAC2 ALDH1A1 400/4885MEN1 2805/4885MAPT 2791/4885
US-20080076926-A1 Process for the preparation of 4-hydroxythieno[2,3-b]pyridine-5-carbonitriles MAP4K2, MAP4K1, MAP4K3 ALDH1A1 3947/4885MEN1 1879/4885MAPT 3348/4885
US-20040006234-A1 PROCESS FOR PREPARING SUBSTITUTED PYRIDONE COMPOUNDS PDXK, DPYD, RRM2B ALDH1A1 325/4885MEN1 451/4885MAPT 4309/4885

“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.