SCHEMBL4203158

SCHEMBL4203158

Cc1nn(C)c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER4 P35408 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 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
SCHEMBL20427919 0.78 PDE4D (0.43) KDM4EMAPTL3MBTL1GAAALDH1A1
SCHEMBL2087514 0.77 PKM (0.34) KDM4EMAPTGAAALDH1A1CYP1A2
SCHEMBL15158194 0.77 PTGER4 (0.37) KDM4EMAPTMEN1KMT2APTGER4
SCHEMBL2721935 0.75 KDM4E (0.44) KDM4EMAPTL3MBTL1GAAALDH1A1
SCHEMBL1335845 0.74 KDM4E (0.60) KDM4EMAPTL3MBTL1GAAALDH1A1
SCHEMBL20427928 0.74 CYP1A2 (0.60) KDM4EMAPTL3MBTL1ALDH1A1POLB
Fluoride SCHEMBL8759650 0.73 KDM4E (0.43) KDM4EMAPTL3MBTL1GAAALDH1A1
Hydrochloric Acid SCHEMBL27700440 0.73 KDM4E (0.43) KDM4EMAPTL3MBTL1GAAALDH1A1
Hydrochloric Acid SCHEMBL10341079 0.72 KDM4E (0.58) KDM4EMAPTL3MBTL1GAAALDH1A1
SCHEMBL4350886 0.72 KDM4E (0.45) KDM4EMAPTL3MBTL1GAAALDH1A1

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
US-20090105325-A1 Substituted Pyrazolecarboxylic Acid Anilide Derivative or Salt Thereof, Intermediate Thereof, Agent for Agricultural and Horticultural Use, and Use Thereof NIHON NOHYAKU CO., LTD. (JP) 2009-04-23 US claimed
EP-1925613-A1 SUBSTITUTED PYRAZOLECARBOXYLIC ACID ANILIDE DERIVATIVE OR SALT THEREOF, INTERMEDIATE THEREOF, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2008-05-28 EP claimed
US-10035773-B2 Method for producing 3,5-bis(fluoroalkyl)-pyrazol-4-carboxylic acid derivatives and 3,5-bis(fluoroalkyl)-pyrazoles BAYER CROPSCIENCE AG (DE) 2018-07-31 US disclosed
EP-1925613-B1 SUBSTITUTED PYRAZOLECARBOXYLIC ACID ANILIDE DERIVATIVE OR SALT THEREOF, INTERMEDIATE THEREOF, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND USE THEREOF NIHON NOHYAKU CO LTD (JP) 2013-04-10 EP disclosed
US-8404861-B2 Substituted pyrazolecarboxylic acid anilide derivative or salt thereof, intermediate thereof, agent for agricultural and horticultural use, and use thereof NIHON NOHYAKU CO., LTD. (JP) 2013-03-26 US disclosed
CN-101243049-B Substituted pyrazolecarboxylic acid anilide derivative or salt thereof, intermediate thereof, agent for agricultural and horticultural use, and use thereof NIHON NOHYAKU CO LTD 2011-11-16 CN disclosed
US-20090105325-A1 Substituted Pyrazolecarboxylic Acid Anilide Derivative or Salt Thereof, Intermediate Thereof, Agent for Agricultural and Horticultural Use, and Use Thereof NIHON NOHYAKU CO., LTD. (JP) 2009-04-23 US disclosed
CN-101243049-A Substituted pyrazolecarboxylic acid anilide derivative or salt thereof, intermediate thereof, agent for agricultural and horticultural use, and use thereof NIHON NOHYAKU CO LTD (JP) 2008-08-13 CN disclosed
EP-1925613-A1 SUBSTITUTED PYRAZOLECARBOXYLIC ACID ANILIDE DERIVATIVE OR SALT THEREOF, INTERMEDIATE THEREOF, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2008-05-28 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 (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-10035773-B2 Method for producing 3,5-bis(fluoroalkyl)-pyrazol-4-carboxylic acid derivatives and 3,5-bis(fluoroalkyl)-pyrazoles KYAT3, AADAC, CYP3A5 KDM4E 3193/4885MAPT 2762/4885L3MBTL1 4801/4885
US-20090105325-A1 Substituted Pyrazolecarboxylic Acid Anilide Derivative or Salt Thereof, Intermediate Thereof, Agent for Agricultural and Horticultural Use, and Use Thereof AS3MT, SETD7, CBR3 KDM4E 1412/4885MAPT 4038/4885L3MBTL1 123/4885

“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.