SCHEMBL19222

SCHEMBL19222

CCO/C=C(/C(=O)OCC)C(=O)C(F)(F)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.42
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 4/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
DHODH Q02127 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GAA P10253 2/20 0.32

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
SCHEMBL15281988 1.00 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL19223 1.00 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL251634 0.86 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL215091 0.86 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL5188862 0.86 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL5074733 0.85 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1828800 0.83 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1828802 0.83 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL433731 0.83
SCHEMBL20679053 0.83

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10120658-A None JP disclosed
US-11299463-B2 Process for the manufacture of pyrazoles or pyrimidones FUJIAN YONGJING TECHNOLOGY CO., LTD. (CN) 2022-04-12 US disclosed
EP-3650443-A1 CONTINUOUS FLOW SYNTHESIS OF FLUORINATED OR NON-FLUORINATED PYRAZOLES Fujian Yongjing Technology Co., Ltd. (CN) 2020-05-13 EP disclosed
US-20200140390-A1 Process for the Manufacture of Pyrazoles or Pyrimidones FUJIAN YONGJING TECHNOLOGY CO., LTD. (CN) 2020-05-07 US disclosed
EP-2595962-B1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY (BE) 2018-07-11 EP disclosed
EP-3178813-A1 METHOD FOR PREPARING HALOGENATED 3-OXOCARBOXYLATES CARRYING A 2-ALKOXYMETHYLIDENE OR A 2-DIALKYLAMINOMETHYLIDENE GROUP BASF SE (DE) 2017-06-14 EP disclosed
EP-2671874-B1 Preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY (BE) 2016-01-13 EP disclosed
US-8981116-B2 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY SA (BE) 2015-03-17 US disclosed
EP-2671874-A1 Preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY SA (BE) 2013-12-11 EP disclosed
EP-2595962-A1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2013-05-29 EP disclosed
US-20130123510-A1 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY SA (BE) 2013-05-16 US disclosed
WO-2012025469-A1 IMPROVED PROCESS FOR THE PREPARATION OF ESTERS OF 1-H-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-03-01 WO disclosed
WO-2012010692-A1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-01-26 WO disclosed
JP-H10120658-A 4-DIFLUOROHALOGENOMETHYL-5-IMINOMETHYLPYRIMIDINE DERIVATIVE NISSAN CHEM IND LTD 1998-05-12 JP 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-20200140390-A1 Process for the Manufacture of Pyrazoles or Pyrimidones DHFR, CYP4X1, CYP2F1 NPSR1 447/4885GLO1 1720/4885ALDH1A1 613/4885
US-20130123510-A1 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids CYP2F1, KHK, CYP4F3 NPSR1 3301/4885GLO1 1084/4885ALDH1A1 367/4885
US-11299463-B2 Process for the manufacture of pyrazoles or pyrimidones DHFR, CYP4X1, CYP2F1 NPSR1 433/4885GLO1 1704/4885ALDH1A1 636/4885

“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.