SCHEMBL434677

SCHEMBL434677

Cn1nc(C(F)F)c(C(=O)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.33
PTGER2 P43116 1/20 0.30

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
SCHEMBL405777 0.85 MIF (0.33)
SCHEMBL15237109 0.85 PTGER4 (0.33) PTGER4PTGER2
SCHEMBL437422 0.85 PTGER4 (0.37) PTGER4PTGER2
SCHEMBL439648 0.84 PTGER4 (0.33) PTGER4
Hydrochloric Acid SCHEMBL28753862 0.84 PTGER4 (0.37) PTGER4PTGER2
SCHEMBL13723232 0.84 PTGER4 (0.34) PTGER4PTGER2
SCHEMBL14960654 0.80 ALDH1A1 (0.37) PTGER4
SCHEMBL29563727 0.75 ALDH1A1 (0.38) PTGER4
SCHEMBL13732493 0.75 TAS1R3 (0.40)
SCHEMBL1308467 0.75 KDM4E (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103553-A1 NEW PROCESS FOR THE SYNTHESIS OF 5-FLUORO-3- (DIFUOROMETHYL) -5-FLUORO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE FREE ACID THEREOF Fujian Yongjing Technology Co., Ltd (CN) 2022-12-21 EP disclosed
US-20220372000-A1 New Process for the Synthesis of 5-Fluoro-3-(Difuoromethyl)-5-Fluoro-1-Methyl-1H-Pyrazole-4-Carboxylic Acid Derivatives and the Free Acid Thereof Fujian Yongjing Technology Co.,Ltd (CN) 2022-11-24 US disclosed
US-20220372000-A1 New Process for the Synthesis of 5-Fluoro-3-(Difuoromethyl)-5-Fluoro-1-Methyl-1H-Pyrazole-4-Carboxylic Acid Derivatives and the Free Acid Thereof Fujian Yongjing Technology Co.,Ltd (CN) 2022-11-24 US disclosed
CN-114450269-A Novel method for synthesizing 5-fluoro-3- (difluoromethyl) -5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid derivative and free acid thereof 福建永晶科技股份有限公司 2022-05-06 CN disclosed
CN-114450269-A Novel method for synthesizing 5-fluoro-3- (difluoromethyl) -5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid derivative and free acid thereof 福建永晶科技股份有限公司 2022-05-06 CN disclosed
EP-3288923-B1 METHOD FOR PREPARING 5-FLUORO-1H-PYRAZOLE-4-CARBONYL FLUORIDES BAYER CROPSCIENCE AG (DE) 2020-02-12 EP disclosed
EP-3000809-B1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER IP GMBH (DE) 2018-10-31 EP disclosed
US-20180118690-A1 METHOD FOR PREPARING 5-FLUORO-1H-PYRAZOLE-4-CARBONYL FLUORIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
US-20180118690-A1 METHOD FOR PREPARING 5-FLUORO-1H-PYRAZOLE-4-CARBONYL FLUORIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
US-9951023-B2 Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbaldehyde BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
EP-2430000-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2012-03-21 EP disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US disclosed
WO-2011151370-A1 N-[(HET)ARYLALKYL)] PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
WO-2011151369-A1 N-[(HET)ARYLETHYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
WO-2011151383-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
WO-2011151383-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
US-20110288305-A1 Process for the preparation of 5-Fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbonyl Chlorides and Fluorides BAYER CROPSCIENCE AG (DE) 2011-11-24 US disclosed
US-20110288305-A1 Process for the preparation of 5-Fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbonyl Chlorides and Fluorides BAYER CROPSCIENCE AG (DE) 2011-11-24 US disclosed
WO-2010130767-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-18 WO disclosed
EP-2251331-A1 Fungicide pyrazole carboxamides derivatives Bayer CropScience AG (DE) 2010-11-17 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 (4 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-20110288305-A1 Process for the preparation of 5-Fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbonyl Chlorides and Fluorides AFF4, AFF1, FLI1 PTGER4 4114/4885PTGER2 4849/4885
US-20220372000-A1 New Process for the Synthesis of 5-Fluoro-3-(Difuoromethyl)-5-Fluoro-1-Methyl-1H-Pyrazole-4-Carboxylic Acid Derivatives and the Free Acid Thereof CYP2F1, FDPS, FIBP PTGER4 1980/4885PTGER2 3446/4885
US-20180118690-A1 METHOD FOR PREPARING 5-FLUORO-1H-PYRAZOLE-4-CARBONYL FLUORIDES AFF4, AFF1, KCNK5 PTGER4 3739/4885PTGER2 4849/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 PTGER4 4061/4885PTGER2 4383/4885

“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.