Sugi Predict

Sugi Predict / Compounds / SCHEMBL1600455

SCHEMBL1600455

SCHEMBL1600455

Fc1ccccc1C(F)(F)Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 5/20 0.41
▸ ACHE P22303 1/20 0.38
▸ SLC22A12 Q96S37 2/20 0.36
▸ KCNE1 P15382 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL30757407 1.00 KCNN4 (0.41) KCNN4ACHESLC22A12KCNE1KCNQ1
SCHEMBL4204571 0.82 ALDH1A1 (0.40) CA1CA2CA5ACA9ALDH1A1
SCHEMBL10602905 0.80 KCNN4 (0.42) KCNN4ACHESLC22A12KCNE1KCNQ1
SCHEMBL169053 0.80 SLC22A12 (0.46) KCNN4ACHESLC22A12ALDH1A1HSD11B1
SCHEMBL11215017 0.80 KCNN4 (0.42) KCNN4ACHESLC22A12KCNE1KCNQ1
SCHEMBL29466225 0.80 SLC22A12 (0.46) KCNN4ACHESLC22A12ALDH1A1HSD11B1
SCHEMBL4002333 0.79 HSD11B1 (0.39) KCNN4SLC22A12CES2CES1HSD11B1
SCHEMBL6489440 0.79 KCNN4 (0.42) KCNN4ACHESLC22A12KCNE1KCNQ1
Hydrochloric Acid SCHEMBL28030629 0.78 ALDH1A1 (0.48) KCNN4SLC22A12ALDH1A1HSD11B1KIF11
Bromide SCHEMBL27721879 0.78 SLC22A12 (0.44) KCNN4SLC22A12ALDH1A1HSD11B1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745766-B Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2024-05-14 — — CN claimed
CN-114853560-B Preparation method of 2,4, 5-trifluoro-benzyl bromide and 2,4, 5-trifluoro-benzoic acid 湖南复瑞生物医药技术有限责任公司 2023-04-21 — — CN claimed
CN-115745766-A Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2023-03-07 — — CN claimed
CN-114853560-A Preparation method of 2,4, 5-trifluorobenzyl bromide and 2,4, 5-trifluorobenzoic acid 湖南复瑞生物医药技术有限责任公司 2022-08-05 — — CN claimed
CN-112354551-B Monoatomic metal photocatalyst, preparation method thereof and application thereof in carbon-oxygen cross-coupling reaction 中国科学院化学研究所 2021-12-31 — — CN claimed
CN-115745766-B Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2024-05-14 — — CN disclosed
CN-115745766-B Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2024-05-14 — — CN disclosed
CN-115745766-B Preparation method of trifluorobenzaldehyde and trifluorobenzyl bromide 兰州康鹏威耳化工有限公司 2024-05-14 — — CN disclosed
CN-220496319-U 2,4, 5-trifluoro benzyl bromide production system 宁夏华昊生物科技有限公司 2024-02-20 — — CN disclosed
CN-117460731-A Heterocyclic lactams, process for their preparation and their use in medicine 劲方医药科技(上海)有限公司 2024-01-26 — — CN disclosed
WO-2023122093-A1 REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-29 — — WO disclosed
CN-116234858-A Compositions and methods for reacting organosilicon compounds with silicon-based hydrides catalyzed by fluorinated arylborane Lewis acids 美国陶氏有机硅公司 2023-06-06 — — CN disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 — — US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 — — WO disclosed
US-20050203145-A1 6-alkylamino-2,2'-disubstituted-7,8-disubstituted-2H-1-benzopyran derivatives as 5-lipoxygenase inhibitor KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY 2005-09-15 — — US disclosed
CN-1636567-A Piperazine derivative used as CCRS antagonist SCHLING (US) 2005-07-13 — — CN disclosed
CN-1182114-C piperazine derivatives useful as CCR5 antagonists 先灵公司 2004-12-29 — — CN disclosed
CN-1450992-A piperazine derivatives useful as CCR5 antagonists SCHERING CORP (US) 2003-10-22 — — CN disclosed
EP-1303507-A1 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
WO-2002006271-A1 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — 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-20050203145-A1 6-alkylamino-2,2'-disubstituted-7,8-disubstituted-2H-1-benzopyran derivatives as 5-lipoxygenase inhibitor ALOX5, LOX, ALOX15 KCNN4 1929/4885ACHE 3382/4885SLC22A12 4434/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET KCNN4 1091/4885ACHE 3670/4885SLC22A12 1892/4885

“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.