SCHEMBL6137822

SCHEMBL6137822

CNc1c(F)ccc(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL5511699 0.85 TSHR (0.38) ADRA2AADRA2BADRA2C
Phenol SCHEMBL27639114 0.83 CA12 (0.42) ADRA2AADRA2BADRA2C
SCHEMBL15177367 0.82 RAPGEF4 (0.34)
SCHEMBL5513312 0.82 BRAF (0.32)
SCHEMBL5513296 0.82 MAP2K1 (0.33)
SCHEMBL25706571 0.82 RAPGEF4 (0.34)
SCHEMBL9226398 0.80 EGFR (0.35)
SCHEMBL9232477 0.80 RAPGEF4 (0.34)
SCHEMBL5514099 0.80 RET (0.39) ADRA2AADRA2BADRA2C
SCHEMBL5512551 0.80 CA3 (0.34) CES2CES1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 CN disclosed
CN-111132976-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2020-05-08 CN disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed
US-20050043180-A1 For prevention of generation of barnyard grass produced from rice DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2005-02-24 US disclosed
EP-1448058-A4 OPTICALLY ACTIVE HERBICIDAL (R)-PHENOXYPROPIONIC ACID-N-METHYL-N-2-FLUOROPHENYL AMIDES DONGBU HANNONG CHEMICAL CO LTD (KR) 2005-01-26 EP disclosed
EP-1448058-A1 OPTICALLY ACTIVE HERBICIDAL (R)-PHENOXYPROPIONIC ACID-N-METHYL-N-2-FLUOROPHENYL AMIDES Dongbu Hannong Chemical Co., Ltd. (KR) 2004-08-25 EP disclosed
US-6600048-B2 Control barnyard grass produced from rice and composition as suitable herbicides. DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2003-07-29 US disclosed
US-20030096706-A1 Herbicidal phenoxypropionic acid N-alkyl-N-2-fluorophenyl amide compounds DONGBU HANNONG CHEMICAL CO., LTD. 2003-05-22 US disclosed
WO-2003037085-A1 OPTICALLY ACTIVE HERBICIDAL (R)-PHENOXYPROPIONIC ACID-N-METHYL-N-2-FLUOROPHENYL AMIDES DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2003-05-08 WO disclosed
EP-1100332-B1 HERBICIDAL PHENOXYPROPIONIC ACID N-ALKYL-N-2-FLUOROPHENYL AMIDE COMPOUNDS DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-04-16 EP disclosed
US-6486098-B1 Herbicidal phenoxypropionic acid N-alkyl-N-2-fluorophenyl amide compounds DONGBU HANNONG CHEMICAL CO. LTD. (KR) 2002-11-26 US disclosed
EP-1100332-A1 HERBICIDAL PHENOXYPROPIONIC ACID N-ALKYL-N-2-FLUOROPHENYL AMIDE COMPOUNDS Dongbu Hannong Chemical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000005956-A1 HERBICIDAL PHENOXYPROPIONIC ACID N-ALKYL-N-2-FLUOROPHENYL AMIDE COMPOUNDS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2000-02-10 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-20030096706-A1 Herbicidal phenoxypropionic acid N-alkyl-N-2-fluorophenyl amide compounds CNPY2, CNPY3, PAOX CES2 248/4885CES1 359/4885ADRA2A 482/4885
US-20050043180-A1 For prevention of generation of barnyard grass produced from rice CBR3, HRH3, H1-3 CES2 435/4885CES1 116/4885ADRA2A 1630/4885

“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.