Sugi Predict

Sugi Predict / Compounds / SCHEMBL19246

SCHEMBL19246

SCHEMBL19246

CCOC=C(C(=O)OCC)C(=O)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.44
▸ GLO1 Q04760 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DHODH Q02127 2/20 0.35
▸ GAA P10253 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PLIN1 O60240 1/20 0.33
▸ POLB P06746 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
SCHEMBL20248 1.00 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL452937 1.00 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL19706368 0.88 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL17164559 0.86 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL17164558 0.86 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL17164585 0.86 — —
SCHEMBL18936288 0.86 — —
SCHEMBL17164546 0.85 HTT (0.37) NPSR1GLO1
SCHEMBL17164571 0.85 ATM (0.40) NPSR1GLO1ALDH1A1MAPTTDP1
SCHEMBL17164569 0.85 ATM (0.40) NPSR1GLO1ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702572-A Synthesis method of ethyl 2-ethoxymethylene-4, 4-difluoro-3-oxobutyrate 苏利(宁夏)新材料科技有限公司 2024-09-27 — — CN claimed
CN-115819346-B Synthesis method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-ethyl formate 湖南化工研究院有限公司 2024-09-24 — — CN claimed
CN-114315577-B Synthesis method of 2-ethoxymethylene-4, 4-difluoro acetoacetic acid ethyl ester 湖南海利化工股份有限公司 2024-09-13 — — CN claimed
CN-114957123-B 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2023-11-28 — — CN claimed
CN-115819346-A Synthetic method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-ethyl formate 湖南化工研究院有限公司 2023-03-21 — — CN claimed
CN-114315577-A Synthesis method of 2-ethoxymethylene-4, 4-difluoroacetoacetic acid ethyl ester 湖南海利化工股份有限公司 2022-04-12 — — CN claimed
WO-2015155713-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF 1,3, 4 -SUBSTITUTED PYRAZOLES ISAGRO S.P.A. (IT) 2015-10-15 — — WO claimed
US-12595247-B2 Substituted pyrazolo piperidine carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 2026-04-07 — — US disclosed
CN-121554420-A Method for preparing 1-methyl-3-difluoromethyl-1H-pyrazole-4-carboxylic acid in high selectivity 湖北泰盛化工有限公司 2026-02-24 — — CN disclosed
EP-3762377-B1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF UNIV CORNELL (US) 2025-08-20 — — EP disclosed
CN-119504588-A Preparation method of fluorine-containing pyrazole derivative 多氟多新材料股份有限公司 2025-02-25 — — CN disclosed
US-20250026737-A1 SUBSTITUTED PYRAZOLO PIPERIDINE CARBOXYLIC ACIDS BAYER AG (DE) 2025-01-23 — — US disclosed
US-12195448-B2 Substituted pyrazolo piperidine carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 2025-01-14 — — US disclosed
US-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate SAGAMI CHEMICAL RESEARCKH CENTER (JP) 2008-06-26 — — US disclosed
US-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate SAGAMI CHEMICAL RESEARCKH CENTER (JP) 2008-06-26 — — US disclosed
US-20080108686-A1 N-(Ortho-Phenyl)-1-Methyl-3-Difluoromethylpyrazole-4-Carboxanilides And Their Use As Fungicides BASF AKTIENGESELLSCHAFT (DE) 2008-05-08 — — US disclosed
EP-1854788-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-3-FLUOROALKYL PYRAZOLE-4-CARBOXYLATE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2007-11-14 — — EP disclosed
US-20060149091-A1 Method for producing difluoro-acetyl-acetic acid alkylesters BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-06 — — US disclosed
EP-1644314-A1 METHOD FOR PRODUCING DIFLUORO-ACETYL-ACETIC ACID ALKYLESTERS Bayer CropScience Aktiengesellschaft (DE) 2006-04-12 — — EP disclosed
WO-2005003077-A1 METHOD FOR PRODUCING DIFLUORO-ACETYL-ACETIC ACID ALKYLESTERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-13 — — WO 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 (6 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-12195448-B2 Substituted pyrazolo piperidine carboxylic acids PLOD3, PDK4, PDF NPSR1 3410/4885GLO1 3284/4885ALDH1A1 1607/4885
US-20080154045-A1 Process for Producing 1-Substituted-3-Fluoroalkylpyrazole-4-Carboxylate CYP4Z1, CYP3A4, HACL2 NPSR1 4153/4885GLO1 657/4885ALDH1A1 69/4885
US-20080108686-A1 N-(Ortho-Phenyl)-1-Methyl-3-Difluoromethylpyrazole-4-Carboxanilides And Their Use As Fungicides CBR3, DDT, CBR1 NPSR1 1221/4885GLO1 818/4885ALDH1A1 1090/4885
US-12595247-B2 Substituted pyrazolo piperidine carboxylic acids SSB, PDK4, FPR1 NPSR1 3491/4885GLO1 3562/4885ALDH1A1 1145/4885
US-20060149091-A1 Method for producing difluoro-acetyl-acetic acid alkylesters APEH, ACACA, NAT1 NPSR1 2679/4885GLO1 1239/4885ALDH1A1 51/4885
US-20250026737-A1 SUBSTITUTED PYRAZOLO PIPERIDINE CARBOXYLIC ACIDS PLOD3, PDK4, PDF NPSR1 3410/4885GLO1 3284/4885ALDH1A1 1607/4885

“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.