SCHEMBL439677

SCHEMBL439677

Cn1cc(C(=O)OCCOC(=O)c2cn(C)nc2C(F)F)c(C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ACACB O00763 1/20 0.34
JMJD6 Q6NYC1 3/20 0.34
KLKB1 P03952 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SERPINE1 P05121 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL2248952 0.94 TSHR (0.47) TSHRGAAALDH1A1ACACBKLKB1
SCHEMBL28363345 0.92 ALDH1A1 (0.36) TSHRGAAALDH1A1ACACBJMJD6
SCHEMBL21126224 0.92 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1TP53
SCHEMBL15280688 0.89 CYP11B1 (0.32) TSHRGAAACACBCYP11B1CYP11B2
SCHEMBL28359952 0.89 LMNA (0.47) TSHRALDH1A1JMJD6TDP1MAPK1
SCHEMBL19186 0.89 JMJD6 (0.44) TSHRGAAALDH1A1JMJD6ADORA3
SCHEMBL28359954 0.88 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1TP53
SCHEMBL596089 0.85 GAA (0.40) GAAALDH1A1ACACBL3MBTL1IRAK4
SCHEMBL28359973 0.84 PAX8 (0.48) GAAJMJD6TDP1L3MBTL1MEN1
SCHEMBL15282392 0.84 CYP3A4 (0.46) TSHRGAAALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498695-B1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) 2020-12-09 EP disclosed
US-10556868-B2 Method for synthesizing 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid and intermediates thereof ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2020-02-11 US disclosed
US-20190202791-A1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID AND INTERMEDIATES THEREOF ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2019-07-04 US disclosed
EP-3498695-A1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, AND INTERMEDIATES THEREOF Zhejiang Yongtai Technology Co., Ltd. (CN) 2019-06-19 EP disclosed
US-8680337-B2 Process for the production of amides Sungenta Limited (GB) 2014-03-25 US disclosed
US-8680337-B2 Process for the production of amides Sungenta Limited (GB) 2014-03-25 US disclosed
EP-2253623-B1 New crystal form of a pyrazole fungicide SYNGENTA PARTICIPATIONS AG (CH) 2013-10-23 EP disclosed
EP-2253623-B1 New crystal form of a pyrazole fungicide SYNGENTA PARTICIPATIONS AG (CH) 2013-10-23 EP disclosed
US-20130253225-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA LIMITED (GB) 2013-09-26 US disclosed
US-8436037-B2 Process for the production of amides SYNGENTA LIMITED (GB) 2013-05-07 US disclosed
EP-2253623-A1 New crystal form of a pyrazole fungicide Syngenta Participations AG. (CH) 2010-11-24 EP disclosed
EP-2253623-A1 New crystal form of a pyrazole fungicide Syngenta Participations AG. (CH) 2010-11-24 EP disclosed
EP-2253622-A1 Process for the production of amides Syngenta Participations AG. (CH) 2010-11-24 EP disclosed
EP-2253622-A1 Process for the production of amides Syngenta Participations AG. (CH) 2010-11-24 EP disclosed
US-20090163569-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-06-25 US disclosed
US-20090163569-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-06-25 US disclosed
US-20090163569-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-06-25 US disclosed
EP-1928838-A1 PROCESS FOR THE PRODUCTION OF AMIDES Syngeta Participations AG (CH) 2008-06-11 EP disclosed
WO-2007031323-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA PARTICIPATIONS AG. (CH) 2007-03-22 WO disclosed
WO-2007031323-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA PARTICIPATIONS AG. (CH) 2007-03-22 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 (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-20190202791-A1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID AND INTERMEDIATES THEREOF AFF4, AFF1, AFF2 TSHR 1411/4885GAA 2440/4885ALDH1A1 30/4885
US-10556868-B2 Method for synthesizing 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid and intermediates thereof AFF1, AFF4, AFF2 TSHR 1207/4885GAA 2184/4885ALDH1A1 32/4885
US-20130253225-A1 PROCESS FOR THE PRODUCTION OF AMIDES CFH, C5, CFB TSHR 92/4885GAA 4495/4885ALDH1A1 1322/4885
US-20090163569-A1 PROCESS FOR THE PRODUCTION OF AMIDES C5, CFH, C9 TSHR 89/4885GAA 4620/4885ALDH1A1 1070/4885

“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.