Sugi Predict

Sugi Predict / Compounds / SCHEMBL20248

SCHEMBL20248

SCHEMBL20248

CCO/C=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
SCHEMBL19246 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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-114957123-A 3- (difluoromethyl) -pyrazole-4-carboxylic ester derivative and preparation method and application thereof 浙江工业大学 2022-08-30 — — 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
EP-3762377-B1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF UNIV CORNELL (US) 2025-08-20 — — EP 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
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 — — EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 — — US disclosed
CN-114981257-B Substituted pyrazolopiperidine carboxylic acids 拜耳公司 2024-07-05 — — CN disclosed
CN-117960075-A Continuous production system and process of 1-methyl-3-difluoromethyl-1H-pyrazole-4-carboxylic acid 天津凯莱英医药科技发展有限公司 2024-05-03 — — CN disclosed
EP-2257532-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF L-ALKYL-3-HALOALKYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-12-08 — — EP disclosed
WO-2010009990-A1 PROCESS FOR PREPARING 1,3-DISUBSTITUTED PYRAZOLECARBOXYLIC ESTERS BASF SE (DE) 2010-01-28 — — WO disclosed
WO-2009112157-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF L-ALKYL-3-HALOALKYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-09-17 — — WO disclosed
EP-2100883-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-09-16 — — EP disclosed
WO-2009106619-A1 Process for preparing alkyl 2-alkoxymethylene-4,4-difluoro-3-oxobutyrates BASF SE (DE) 2009-09-03 — — WO 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

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-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 NPSR1 4555/4885GLO1 2159/4885ALDH1A1 2543/4885
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.