Sugi Predict

Sugi Predict / Compounds / SCHEMBL1471234

SCHEMBL1471234

SCHEMBL1471234

O=C(c1ccccc1Cl)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.58
▸ CES2 O00748 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 2/20 0.52
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPK1 P28482 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RORC P51449 2/20 0.45
▸ ERCC5 P28715 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ RORB Q92753 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL29477191 1.00 CES1 (0.58) CES1CES2ALDH1A1POLBHPGD
SCHEMBL28511809 0.83 CES2 (0.54) CES1CES2ALDH1A1POLBHPGD
SCHEMBL2369282 0.83 TSHR (0.59) CES1CES2ALDH1A1POLBHPGD
SCHEMBL26599005 0.82 KAT6A (0.44) CES1CES2ALDH1A1POLBHPGD
SCHEMBL3793197 0.82 ALDH1A1 (0.47) CES1CES2ALDH1A1POLBHPGD
SCHEMBL3784559 0.80 CES1 (0.46) CES1CES2ALDH1A1HPGDKDM4E
SCHEMBL12431222 0.80 CES2 (0.60) CES1CES2ALDH1A1POLBHPGD
SCHEMBL2625461 0.78 CES2 (0.58) CES1CES2ALDH1A1POLBHPGD
SCHEMBL7059939 0.77 ALDH1A1 (0.59) CES1CES2ALDH1A1POLBHPGD
Trifluoroacetic Acid SCHEMBL31069765 0.76 ALDH1A1 (0.53) CES1CES2ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107353189-A Prepare 3,5 dichloro a（Trifluoromethyl）The method of styrene 荆门医药工业技术研究院 2017-11-17 — — CN claimed
CN-108250109-A A kind of synthetic method of substituted biphenyl compound 苏州科伦药物研究有限公司 2018-07-06 — — CN disclosed
CN-107353189-A Prepare 3,5 dichloro a（Trifluoromethyl）The method of styrene 荆门医药工业技术研究院 2017-11-17 — — CN disclosed
WO-2015111004-A3 IMPROVED PROCESS FOR THE PREPARATION OF CHLOROPHENYL TRIFLUOROETHANONE DISCOVERY INTERMEDIATES PRIVATE LIMITED (IN) 2017-05-11 — — WO disclosed
EP-1983994-B1 OXAZOLE KETONES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE SCRIPPS RESEARCH INST (US) 2015-09-30 — — EP disclosed
WO-2015111004-A2 IMPROVED PROCESS FOR THE PREPARATION OF CHLOROPHENYL TRIFLUOROETHANONE DISCOVERY INTERMEDIATES PRIVATE LIMITED (IN) 2015-07-30 — — WO disclosed
CN-103282345-A Process for preparing substituted isoxazoline compounds and their precursors 4-chloro-, 4-bromo-or 4-iodobenzaldehyde oximes BASF SE 2013-09-04 — — CN disclosed
CN-102822168-A Method for producing isoxazoline derivatives SYNGENTA PARTICIPATIONS AG 2012-12-12 — — CN disclosed
CN-102414202-A Process for preparing substituted isoxazoline compounds and precursors thereof BASF SE 2012-04-11 — — CN disclosed
EP-2395843-A2 ENCAPSULATION OF HERBICIDES TO REDUCE CROP INJURY Monsanto Technology LLC (US) 2011-12-21 — — EP disclosed
CN-102256971-A Isoxazoline derivatives and their use as pesticide NOVARTIS AG 2011-11-23 — — CN disclosed
US-7915270-B2 Oxazole ketones as modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-29 — — US disclosed
WO-2010093970-A2 ENCAPSULATION OF HERBICIDES TO REDUCE CROP INJURY MONSANTO TECHNOLOGY LLC (US) 2010-08-19 — — WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
EP-1983994-A2 OXAZOLE KETONES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2008-10-29 — — EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
WO-2007098142-A2 OXAZOLE KETONES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2007-08-30 — — WO disclosed
US-20070203156-A1 Oxazole ketones as modulators of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2007-08-30 — — US disclosed
EP-0298020-A1 Use of an epoxidation reagent, and process for the preparation of 5-alpha (10-alpha) epoxy-delta 9(11) steroids SCHERING AKTIENGESELLSCHAFT (DE) 1989-01-04 — — EP disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 — — 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-20070203156-A1 Oxazole ketones as modulators of fatty acid amide hydrolase FAAH, FAAH2, HCRTR2 CES1 81/4885CES2 315/4885ALDH1A1 469/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CES1 4009/4885CES2 2317/4885ALDH1A1 4339/4885

“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.