SCHEMBL1547520

SCHEMBL1547520

C[CH]c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
RPS6KA3 P51812 1/20 0.39
JAK3 P52333 1/20 0.39
NFE2L2 Q16236 1/20 0.38
IDO1 P14902 3/20 0.37
TDO2 P48775 1/20 0.37
MAPT P10636 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
XPO1 O14980 1/20 0.34
AHR P35869 1/20 0.33
PTGS1 P23219 1/20 0.33
ADRB1 P08588 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
SCHEMBL2310150 0.84 TSHR (0.42) RPS6KA3JAK3NFE2L2IDO1TDO2
SCHEMBL16829670 0.80 NFE2L2 (0.40) CES2RPS6KA3JAK3NFE2L2IDO1
SCHEMBL13243702 0.80 NFE2L2 (0.40) CES2RPS6KA3JAK3NFE2L2IDO1
SCHEMBL16829667 0.80 NFE2L2 (0.40) CES2RPS6KA3JAK3NFE2L2IDO1
SCHEMBL5249757 0.78 CES2 (0.44) CES2RPS6KA3JAK3NFE2L2IDO1
SCHEMBL21457919 0.77 IDO1 (0.40) CES2RPS6KA3JAK3NFE2L2IDO1
SCHEMBL15542721 0.77 TSHR (0.43) MAPT
SCHEMBL543469 0.77 NFE2L2 (0.59) CES2NFE2L2MAPT
SCHEMBL440959 0.76 CES2 (0.58) CES2IDO1MAPTRAPGEF4XPO1
SCHEMBL5543022 0.76 CES2 (0.42) CES2RPS6KA3JAK3NFE2L2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588809-B A kind of preparation method of morpholine derivative 江苏富泽药业有限公司 2018-12-25 CN claimed
CN-106588809-A Preparation method of morpholine derivative 江苏富泽药业有限公司 2017-04-26 CN claimed
US-8188290-B2 Reacting secondary amine, carbon dioxide, triarylsilyl chloride and halogenation agent GLAXO GROUP LIMITED (GB) 2012-05-29 US claimed
CN-106588809-B A kind of preparation method of morpholine derivative 江苏富泽药业有限公司 2018-12-25 CN disclosed
CN-106588809-B A kind of preparation method of morpholine derivative 江苏富泽药业有限公司 2018-12-25 CN disclosed
CN-106588809-A Preparation method of morpholine derivative 江苏富泽药业有限公司 2017-04-26 CN disclosed
US-9272966-B2 Method for preparing optically active 1-bromo-1[3,5-bis(trifluoromethyl)phenyl]ethane KOWA COMPANY, LTD. (JP) 2016-03-01 US disclosed
CN-104703603-A Novel uses NERRE THERAPEUTICS LTD 2015-06-10 CN disclosed
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE KOWA COMPANY, LTD. (JP) 2013-07-25 US disclosed
EP-2597079-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE Kowa Company Ltd. (JP) 2013-05-29 EP disclosed
EP-2311817-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
WO-2004091616-A1 COMBINATIONS OF PAROXETINE AND 4- (S) - (4-ACETYL-PIPERAZIN-1-YL) -2- (R)- (4-FLUORO-2-METHYL-PHENYL -PIPERIDINE-1-CARBOXYLIC ACID [1- (R) -(3,5-BIS-TRIFLUOROMETHYL-PHENYL) -ETHYL] METHYLAMIDE FOR TREATMENT OF DEPRESSION AND / OR ANXIETY GLAXO GROUP LIMITED (GB) 2004-10-28 WO disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 EP disclosed
US-6008223-A ANTIINFLAMMATORY AGENTS FOR TREATING ASTHMA ZENECA LIMITED (GB) 1999-12-28 US disclosed
US-5731309-A Substituted heteroalkyleneamine neurokinin antagonists ZENECA LIMITED (GB) 1998-03-24 US disclosed
EP-0709376-A2 Therapeutic compounds ZENECA LIMITED (GB) 1996-05-01 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 (3 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS CES2 2005/4885RPS6KA3 1382/4885JAK3 2344/4885
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE RPP30, BRPF1, ALK CES2 1977/4885RPS6KA3 46/4885JAK3 3124/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD CES2 1998/4885RPS6KA3 1487/4885JAK3 1989/4885

“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.