Sugi Predict

Sugi Predict / Compounds / SCHEMBL1498978

SCHEMBL1498978

SCHEMBL1498978

O=C(F)CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.67
▸ FFAR1 O14842 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HDAC2 Q92769 3/20 0.57
▸ HDAC8 Q9BY41 3/20 0.57
▸ HDAC6 Q9UBN7 3/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ HDAC1 Q13547 4/20 0.56
▸ HDAC3 O15379 2/20 0.56
▸ HDAC4 P56524 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HDAC7 Q8WUI4 2/20 0.56
▸ HDAC10 Q969S8 2/20 0.56
▸ HDAC11 Q96DB2 2/20 0.56
▸ HDAC9 Q9UKV0 2/20 0.56
▸ HDAC5 Q9UQL6 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ MAPT P10636 2/20 0.53

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
SCHEMBL23391012 0.86 HDAC1 (0.69) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL11765632 0.83 MAPT (0.71) HDAC2HDAC8HDAC6TDP1HDAC1
Benzylacetone SCHEMBL28134116 0.80 ALDH1A1 (0.88) KEAP1FFAR1ALDH1A1HDAC2HDAC8
Phenyl Propionic Acid SCHEMBL29619843 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL4192449 0.80 KEAP1 (0.58) KEAP1FFAR1ALDH1A1HDAC2HDAC8
Phenyl Propionic Acid SCHEMBL27523271 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL497371 0.80 KEAP1 (0.73) KEAP1FFAR1ALDH1A1HDAC2HDAC8
Phenyl Propionic Acid SCHEMBL13618844 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC2HDAC8
Phenyl Propionic Acid SCHEMBL3419 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1HDAC2HDAC8
SCHEMBL4279627 0.80 KEAP1 (0.73) KEAP1FFAR1ALDH1A1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903112-A Sulfur-containing deoxidized fluoridation reagent and preparation method and application thereof 铜陵学院 2024-04-19 — — CN disclosed
CN-110446739-A Fluorine-containing acetophenone derivs, fluorine system additive and contain its solidification compound and its solidfied material DAINIPPON INK & CHEMICALS 2019-11-12 — — CN disclosed
CN-104341471-B Macrolides compound or its salt, synthetic method, pharmaceutical composition and its application 上海医药工业研究院 2019-01-22 — — CN disclosed
CN-106188119-B Application of bis (β -diimine) rare earth amide in catalysis of hydroboration reaction of ketone and borane 苏州大学 2018-06-12 — — CN disclosed
CN-108031492-A A kind of preparation method of borate 苏州大学 2018-05-15 — — CN disclosed
CN-106565626-A Synthetic method of 2-amino-4-aryl-5-methylthiothiazole compound 淮海工学院 2017-04-19 — — CN disclosed
EP-2478098-B1 PREPARATION OF BETA-AMINO ACIDS BASF SE (DE) 2017-03-15 — — EP disclosed
CN-106188119-A Application of di (beta-diimine) rare earth amide in catalysis of hydroboration reaction of ketone and borane 苏州大学张家港工业技术研究院 2016-12-07 — — CN disclosed
CN-106008519-A Synthesis method of 5-(4-fluorophenyl)-N-morpholinyl-7-trifluoromethylpyrazolo[1,5-a]pyrimidyl-3-amide 重庆医药高等专科学校 2016-10-12 — — CN disclosed
CN-106008520-A Synthesis method of 5-arylpyrazolopyrimidine derivatives 重庆医药高等专科学校 2016-10-12 — — CN disclosed
US-8680332-B2 Disubstituted-aminodifluorosulfinium salts, process for preparing same and method of use as deoxofluorination reagents OMEGACHEM INC. (CA) 2014-03-25 — — US disclosed
US-20120270280-A1 PREPARATION OF BETA-AMINO ACIDS BASF SE (DE) 2012-10-25 — — US disclosed
EP-2478098-A1 PREPARATION OF BETA-AMINO ACIDS BASF SE (DE) 2012-07-25 — — EP disclosed
US-20120108801-A1 DISUBSTITUTED-AMINODIFLUOROSULFINIUM SALTS, PROCESS FOR PREPARING SAME AND METHOD OF USE AS DEOXOFLUORINATION REAGENTS OMEGACHEM INC (CA) 2012-05-03 — — US disclosed
EP-2443087-A1 DISUBSTITUTED-AMINODIFLUOROSULFINIUM SALTS, PROCESS FOR PREPARING SAME AND METHOD OF USE AS DEOXOFLUORINATION REAGENTS Omegachem Inc. (CA) 2012-04-25 — — EP disclosed
WO-2011032990-A1 PREPARATION OF BETA-AMINO ACIDS BASF SE (DE) 2011-03-24 — — WO disclosed
WO-2010145037-A1 DISUBSTITUTED-AMINODIFLUOROSULFINIUM SALTS, PROCESS FOR PREPARING SAME AND METHOD OF USE AS DEOXOFLUORINATION REAGENTS OMEGACHEM INC. (CA) 2010-12-23 — — WO disclosed
CN-101573340-A Modulators of glucocorticoid receptor AP-1 and/or NF-kB activity and uses thereof BRISTOL MYERS SQUIBB CO (US) 2009-11-04 — — CN disclosed
CN-1117569-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 2003-08-13 — — CN disclosed
CN-1143323-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1997-02-19 — — CN 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 (1 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-20120108801-A1 DISUBSTITUTED-AMINODIFLUOROSULFINIUM SALTS, PROCESS FOR PREPARING SAME AND METHOD OF USE AS DEOXOFLUORINATION REAGENTS PFAS, DHPS, AGPS KEAP1 721/4885FFAR1 3096/4885ALDH1A1 148/4885

“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.