SCHEMBL1562956

SCHEMBL1562956

O=C(O)c1cc(I)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.38
TP53 P04637 1/20 0.37
TTR P02766 1/20 0.37
KEAP1 Q14145 2/20 0.36
MAP2K1 Q02750 2/20 0.36
MAP2K2 P36507 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
NFE2L2 Q16236 1/20 0.35
MAOB P27338 1/20 0.33
ALB P02768 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
STAT3 P40763 1/20 0.33
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL5872828 0.83 KEAP1 (0.43) TP53KEAP1KDM4EASPHKDM8
SCHEMBL24558247 0.81 TSHR (0.35) TPMTTP53TTRKEAP1MAP2K1
SCHEMBL12931099 0.81 KEAP1 (0.40) TPMTTP53TTRKEAP1MAP2K1
SCHEMBL6415000 0.77 CYP1A2 (0.44) TPMTTTRKEAP1MAP2K1MAP2K2
SCHEMBL29661971 0.77 TP53 (0.53) TPMTTP53TTRMAP2K1MAP2K2
SCHEMBL25309509 0.77 AKR1C2 (0.47) TPMTTTRKEAP1KDM4EAKR1C2
SCHEMBL503374 0.76 KEAP1 (0.47) KEAP1KDM4EASPHKDM8NFE2L2
Fluoride SCHEMBL6445071 0.76 KEAP1 (0.47) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL29816825 0.76 KEAP1 (0.47) KEAP1KDM4EASPHKDM8NFE2L2
Fluoride SCHEMBL28471027 0.76 KEAP1 (0.47) KEAP1KDM4EASPHKDM8NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968994-B1 PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF UBE INDUSTRIES (JP) 2002-11-06 EP claimed
US-6307091-B1 TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. UBE INDUSTRIES, LTD. (JP) 2001-10-23 US claimed
US-6160171-A Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same UBE INDUSTRIES, LTD. (JP) 2000-12-12 US claimed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 EP claimed
JP-11080076-A None JP disclosed
EP-4740942-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF HUAJIAN FUTURE (CHENGDU) TECHNOLOGY CO., LTD. (CN) 2026-05-13 EP disclosed
CN-119421874-A Aromatic amide derivative and application thereof in antitumor drugs 上海喆邺生物科技有限公司 2025-02-11 CN disclosed
WO-2025007811-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF 成都华健未来科技有限公司 2025-01-09 WO disclosed
EP-4467154-A1 MEDICINE FOR TREATING OR PREVENTING CANCER CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-11-27 EP disclosed
CN-118574632-A Medicine for treating or preventing cancer 中外制药株式会社 2024-08-30 CN disclosed
WO-2024002210-A1 AROMATIC AMIDE DERIVATIVE AND USE THEREOF IN ANTITUMOR DRUGS 上海喆邺生物科技有限公司 2024-01-04 WO disclosed
WO-2023140329-A1 MEDICINE FOR TREATING OR PREVENTING CANCER 中外製薬株式会社 2023-07-27 WO disclosed
US-6307091-B1 TRIFLUOROMETHYLATING A TRIFLUOROIODOBENZOIC ACID ESTER WITH ADIFLUORO(FLUOROSULFONYL)ACETIC ACID ESTER IN THE PRESENCE OF A COPPER CATALYST IN AN ORGANIC SOLVENT. UBE INDUSTRIES, LTD. (JP) 2001-10-23 US disclosed
US-6160171-A Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same UBE INDUSTRIES, LTD. (JP) 2000-12-12 US disclosed
US-6160171-A Trifluoro-substituted benzoic acid, esters thereof, and process for producing the same UBE INDUSTRIES, LTD. (JP) 2000-12-12 US disclosed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 EP disclosed
EP-0968994-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2000-01-05 EP disclosed
EP-0968994-A4 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2000-01-05 EP disclosed
JP-H1180076-A 2,3,4-TRIFLUORO-5-TRIFLUOROMETHYLBENZOIC ACID, ITS ESTERS AND THEIR PRODUCTION UBE IND LTD 1999-03-23 JP disclosed
WO-1998007682-A1 SUBSTITUTED TRIFLUOROBENZOIC ACIDS, ESTERS THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed