SCHEMBL15519948

SCHEMBL15519948

FC(F)c1cc(C(F)(F)F)n(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CASR P41180 1/20 0.36
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL15518373 0.87 PTGS2 (0.42) PTGS1PTGS2TDP1L3MBTL1ALDH1A1
SCHEMBL30999758 0.84 PTGS2 (0.39) PTGS1PTGS2TP53MAPT
SCHEMBL30999757 0.84 PTGS2 (0.49) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL7570850 0.77 PTGS1 (0.65) PTGS1PTGS2L3MBTL1ALDH1A1CYP1A2
SCHEMBL27720508 0.76 PTGS1 (0.46) PTGS1PTGS2TDP1ALDH1A1CYP1A2
SCHEMBL1012539 0.76 PTGS1 (0.46) PTGS1PTGS2L3MBTL1ALDH1A1CYP1A2
SCHEMBL3281219 0.76 MAPK1 (0.56) PTGS1L3MBTL1ALDH1A1GAACYP1A2
SCHEMBL27944811 0.75 PTGS1 (0.45) PTGS1PTGS2TDP1ALDH1A1CYP1A2
SCHEMBL6456607 0.75 PTGS2 (0.70) PTGS1PTGS2TDP1L3MBTL1ALDH1A1
SCHEMBL21849180 0.73 GRN (0.56) PTGS1PTGS2ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388408-A Synthesis method of 3, 5-bis (fluoroalkyl) pyrazole compound 西北师范大学 2024-07-26 CN disclosed
CN-104703972-B Decarboxylation method of 3, 5-bis (haloalkyl) -pyrazole-4-carboxylic acid derivative 拜耳农作物科学股份公司 2017-05-31 CN disclosed
EP-2890682-B1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2016-06-29 EP disclosed
EP-2890682-B1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2016-06-29 EP disclosed
US-9145370-B2 Procedure for the decarboxylation of 3,5-bis(haloalkyl)-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-09-29 US disclosed
US-9145370-B2 Procedure for the decarboxylation of 3,5-bis(haloalkyl)-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-09-29 US disclosed
US-20150225350-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-08-13 US disclosed
US-20150225350-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-08-13 US disclosed
EP-2890682-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2015-07-08 EP disclosed
CN-104703972-A Decarboxylation method of 3, 5-bis (haloalkyl) -pyrazole-4-carboxylic acid derivative BAYER CROPSCIENCE AG 2015-06-10 CN disclosed
WO-2014033164-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-03-06 WO disclosed
WO-2014033164-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-03-06 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 (1 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-20150225350-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AOC3, CBR3, AOC2 PTGS1 2494/4885PTGS2 2497/4885TDP1 4715/4885

“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.