SCHEMBL19994231

SCHEMBL19994231

O=C(O)c1cc(C(F)F)nn1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
GAA P10253 1/20 0.74
GRN P28799 1/20 0.55
SORT1 Q99523 1/20 0.55
KDM4E B2RXH2 2/20 0.47
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
RPA1 P27694 1/20 0.43
KLKB1 P03952 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.40
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL31125205 0.88 ALDH1A1 (0.57) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL4498910 0.85 ALDH1A1 (1.00) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL19994228 0.81 LMNA (0.55) ALDH1A1GAAKDM4ERECQLKMT2A
SCHEMBL6414804 0.80 ALDH1A1 (0.73) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL68764 0.76 RPA1 (0.65) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL5402973 0.76 ALDH1A1 (0.63) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL4422536 0.75 ALDH1A1 (0.75) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL2927650 0.75 ALDH1A1 (0.74) ALDH1A1GAAGRNSORT1KDM4E
SCHEMBL30070407 0.75 ALDH1A1 (0.44) ALDH1A1GAAKDM4EPTGS2SMN1; SMN2
SCHEMBL4993401 0.75 ALDH1A1 (0.61) ALDH1A1GAAGRNSORT1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689629-B Process for preparing 3-fluoroalkyl-5-pyrazole carboxylic acid esters and 3-fluoroalkyl-5-pyrazole carboxylic acids 拜耳作物科学股份公司 2022-11-29 CN disclosed
EP-3515893-B1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AG (DE) 2020-10-21 EP disclosed
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-11 US disclosed
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-11 US disclosed
EP-3515893-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 EP disclosed
US-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-25 US disclosed
US-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-25 US disclosed
CN-109689629-A The method for preparing 3- fluoroalkyl -5- pyrazole carboxylate and 3- fluoroalkyl -5- pyrazole carboxylic acid 拜耳作物科学股份公司 2019-04-26 CN disclosed
WO-2018054807-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 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 (2 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-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS KYAT3, PFKFB3, PFKFB1 ALDH1A1 1023/4885GAA 2273/4885GRN 2469/4885
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids KYAT3, PFKFB3, PFKFB1 ALDH1A1 1023/4885GAA 2273/4885GRN 2469/4885

“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.