Sugi Predict

Sugi Predict / Compounds / SCHEMBL1600457

SCHEMBL1600457

SCHEMBL1600457

Fc1cccc(C(F)Br)c1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.44
▸ CES1 P23141 4/20 0.44
▸ BCHE P06276 1/20 0.37
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GLS O94925 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ TACR1 P25103 1/20 0.30
▸ HDAC4 P56524 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
SCHEMBL3310094 0.83 CES2 (0.46) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL27994894 0.81 CES2 (0.48) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL127093 0.80 IDO1 (0.41) CES2CES1SLC6A2SLC6A4SLC6A3
SCHEMBL16956757 0.80 CES2 (0.47) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL30846952 0.79 P2RX7 (0.44) CES2CES1BCHESLC6A2ALDH1A1
SCHEMBL4455674 0.79 P2RX7 (0.44) CES2CES1BCHESLC6A2ALDH1A1
SCHEMBL4002335 0.78 CES2 (0.42) CES2CES1
SCHEMBL29100191 0.76 CES2 (0.44) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL7777116 0.76 CES2 (0.53) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL6405941 0.76 CES2 (0.44) CES2CES1BCHESLC6A2SLC6A4

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 33 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-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
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 disclosed
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 disclosed
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 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 CES2 1931/4885CES1 114/4885BCHE 2539/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET CES2 2095/4885CES1 1472/4885BCHE 3612/4885

“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.