SCHEMBL15519624

SCHEMBL15519624

FC(F)c1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.40
ALOX15 P16050 5/20 0.40
MAPK1 P28482 4/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 3/20 0.37
CRHBP P24387 1/20 0.35
ATM Q13315 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
XBP1 P17861 1/20 0.33
LMNA P02545 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
SCHEMBL1119956 0.81 HPGD (0.39) ALOX15MAPK1TP53HSD17B10SMN1; SMN2
SCHEMBL23869549 0.81 ATM (0.33) MAPK1CRHBPATMCRHR2MAPT
SCHEMBL18343613 0.79 MAPK1 (0.35) ALOX15MAPK1TP53HSD17B10SMN1; SMN2
SCHEMBL7981819 0.78 HPGD (0.37) ALOX15MAPK1TP53HSD17B10SMN1; SMN2
SCHEMBL1490037 0.70 HPGD (0.47) RAD51ALOX15MAPK1TP53HSD17B10
SCHEMBL30545008 0.70
SCHEMBL20108 0.70 ALOX15 (0.43) ALOX15MAPK1TP53HSD17B10SMN1; SMN2
SCHEMBL30442982 0.70 ALOX15 (0.43) ALOX15MAPK1TP53HSD17B10SMN1; SMN2
SCHEMBL17627136 0.70 IKBKB (0.41) MAPK1SMN1; SMN2
SCHEMBL17686763 0.69 TNIK (0.44) MAPK1TP53ATMKMT2APOLB

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 35 patents — showing the first 20. 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-118388408-A Synthesis method of 3, 5-bis (fluoroalkyl) pyrazole compound 西北师范大学 2024-07-26 CN disclosed
CN-106458918-B Method for producing 3, 5-bis (haloalkyl) pyrazoles by acylation of ketimines 拜耳作物科学股份公司 2019-07-09 CN disclosed
CN-106164049-B Process for the preparation of 3, 5-di (haloalkyl) pyrazole derivatives from α -dihaloamines and ketimines 拜耳作物科学股份公司 2019-04-12 CN disclosed
CN-106458917-B Pass through the acylated method for preparing bis- (halogenated alkyl) pyrazole derivatives of 3,5- of hydrazone 拜耳作物科学股份公司 2019-04-12 CN disclosed
CN-105408314-B Process for preparing 3, 5-bis (fluoroalkyl) pyrazole derivatives from α -dihaloamines 拜耳作物科学股份公司 2018-04-24 CN disclosed
EP-3154946-B1 PROCESS FOR PREPARING 3,5-BIS(HALOALKYL)PYRAZOLE DERIVATIVES VIA ACYLATION OF HYDRAZONES BAYER CROPSCIENCE AG (DE) 2018-04-18 EP disclosed
EP-3154947-B1 PROCESS FOR PREPARING 3,5-BIS(HALOALKYL)PYRAZOLES VIA ACYLATION OF KETIMINES BAYER CROPSCIENCE AG (DE) 2018-03-28 EP disclosed
US-9914704-B2 Process for preparing 3,5-bis(haloalkyl)pyrazoles via acylation of ketimines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-13 US disclosed
EP-3122727-B1 PROCESS FOR PREPARING 3,5-BIS(HALOALKYL)PYRAZOLE DERIVATIVES FROM ALPHA , ALPHA-DIHALOAMINES AND KETIMINES BAYER CROPSCIENCE AG (DE) 2018-01-31 EP disclosed
US-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
CN-105408314-A Process for preparing 3, 5-bis (fluoroalkyl) pyrazole derivatives from alpha, alpha-dihaloamines BAYER CROPSCIENCE AG 2016-03-16 CN disclosed
WO-2015189141-A1 PROCESS FOR PREPARING 3,5-BIS(HALOALKYL)PYRAZOLE DERIVATIVES VIA ACYLATION OF HYDRAZONES BAYER CROPSCIENCE AG (DE) 2015-12-17 WO disclosed
WO-2015189138-A1 PROCESS FOR PREPARING 3,5-BIS(HALOALKYL)PYRAZOLES VIA ACYLATION OF KETIMINES BAYER CROPSCIENCE AG (DE) 2015-12-17 WO 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
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

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-20160108000-A1 PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES HDHD5, CYP4F3, AADAC RAD51 3993/4885ALOX15 3214/4885MAPK1 2716/4885
US-20150225350-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AOC3, CBR3, AOC2 RAD51 2207/4885ALOX15 569/4885MAPK1 3908/4885

“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.