Sugi Predict

Sugi Predict / Compounds / SCHEMBL111125

SCHEMBL111125

SCHEMBL111125

O=C(c1cccc(Cl)c1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.58
▸ CES1 P23141 1/20 0.57
▸ PARP1 P09874 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ ERCC5 P28715 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ SLC6A2 P23975 2/20 0.46
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL29791495 1.00 ACHE (0.58) ACHECES1PARP1ALDH1A1GAA
SCHEMBL9315494 0.86 PARP1 (0.55) ACHEPARP1ALDH1A1GAAMAPT
SCHEMBL29035945 0.86 PARP1 (0.55) ACHEPARP1ALDH1A1GAAMAPT
SCHEMBL8755253 0.85 CES1 (0.70) ACHECES1PARP1MAPT
SCHEMBL28507305 0.85 PARP1 (0.53) ACHEPARP1ALDH1A1GAAMAPT
Trifluoroacetic Acid SCHEMBL5672267 0.81 NPC1 (0.54) PARP1MAPTLMNAERCC5FEN1
SCHEMBL31332687 0.80 PARP1 (0.49) ACHEPARP1ALDH1A1GAAMAPT
SCHEMBL5925977 0.80 PARP1 (0.57) PARP1ALDH1A1GAAMAPTHTT
SCHEMBL1273634 0.79 CES1 (0.65) ACHECES1PARP1CYP2C19SMN1; SMN2
SCHEMBL30166168 0.79 CES1 (0.65) ACHECES1PARP1CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300014-B Method for synthesizing 4-chloro-2- (trifluoroacetyl) aniline by using microchannel reactor 浙江江北药业有限公司 2022-09-27 — — CN claimed
CN-106432171-B The preparation method of trifluoromethyl functionalization 1,3- dioxolane 石河子大学 2019-02-26 — — CN claimed
CN-106432171-A Method for preparing trifluoromethyl functionalized 1,3-dioxolane 石河子大学 2017-02-22 — — CN claimed
CN-117143005-A Fluoro methyl bis-carbazolyl methane compound and synthesis method thereof 宁波大学 2023-12-01 — — CN disclosed
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 — — US disclosed
EP-4126848-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 — — EP disclosed
CN-115380030-A N-heteroarylalkyl-2- (heterocyclyl and heterocyclylmethyl) acetamide derivatives as SSTR4 agonists 武田药品工业株式会社 2022-11-22 — — CN disclosed
CN-110776406-B Novel Friedel-Crafts reaction method and catalyst thereof 福建永晶科技股份有限公司 2022-11-04 — — CN disclosed
CN-112300014-B Method for synthesizing 4-chloro-2- (trifluoroacetyl) aniline by using microchannel reactor 浙江江北药业有限公司 2022-09-27 — — CN disclosed
CN-112300014-B Method for synthesizing 4-chloro-2- (trifluoroacetyl) aniline by using microchannel reactor 浙江江北药业有限公司 2022-09-27 — — CN disclosed
CN-112110803-B Preparation method of 3',5' -dichloro-2, 2, 2-trifluoro acetophenone 台州臻挚生物科技有限公司 2022-07-22 — — CN disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 — — EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
EP-2172462-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-04-07 — — EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 — — WO disclosed
EP-1983994-A2 OXAZOLE KETONES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2008-10-29 — — EP disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 — — WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
WO-2007098142-A2 OXAZOLE KETONES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2007-08-30 — — WO disclosed
US-20070203156-A1 Oxazole ketones as modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2007-08-30 — — US 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 (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-20070203156-A1 Oxazole ketones as modulators of fatty acid amide hydrolase FAAH, FAAH2, HCRTR2 ACHE 1178/4885CES1 81/4885PARP1 3804/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ACHE 295/4885CES1 4009/4885PARP1 3661/4885
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR5 ACHE 2358/4885CES1 1444/4885PARP1 4328/4885

“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.