SCHEMBL1152870

SCHEMBL1152870

N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.68
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
DPP4 P27487 2/20 0.44
KCNN4 O15554 1/20 0.44
F2 P00734 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1143220 1.00 KCNA5 (0.68) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL1143218 1.00 KCNA5 (0.68) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL1153036 0.86 KCNA5 (0.54) KCNA5KDM4ELMNAMAPK1ADRA2A
SCHEMBL17045047 0.86 KCNA5 (0.54) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL17045046 0.86 KCNA5 (0.54) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL1153033 0.86 KCNA5 (0.54) KCNA5KDM4ELMNAMAPK1ADRA2A
SCHEMBL1153251 0.83 KCNA5 (0.51) KCNA5ALDH1A1MEN1KMT2A
SCHEMBL1153248 0.83 KCNA5 (0.51) KCNA5ALDH1A1MEN1KMT2A
SCHEMBL8958995 0.82 KCNA5 (0.53) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL9120791 0.82 KCNA5 (0.53) KCNA5KDM4ELMNAMAPK1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265528-B Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2015-05-06 CN claimed
CN-103265528-A Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2013-08-28 CN claimed
CN-103265528-B Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2015-05-06 CN disclosed
CN-103265528-A Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2013-08-28 CN disclosed
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
EP-0895992-B1 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL CO (JP) 2009-06-10 EP disclosed
US-20080200672-A1 Highly enantioselective carbonyl reduction with borane catalyzed by chiral spiroborate esters derived from chiral beta-aminoalcohols NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-21 US disclosed
US-20080200672-A1 Highly enantioselective carbonyl reduction with borane catalyzed by chiral spiroborate esters derived from chiral beta-aminoalcohols NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-08-21 US disclosed
EP-1213293-A1 Use of chiral, uncharged metal compounds as doting agents for liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed
EP-0895992-A2 Copper complexes of optically active bisoxazolines as enantioselective catalysts in cyclopropanation reactions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-10 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 KCNA5 2187/4885KDM4E 3354/4885LMNA 1389/4885
US-20080200672-A1 Highly enantioselective carbonyl reduction with borane catalyzed by chiral spiroborate esters derived from chiral beta-aminoalcohols ADH1A, ALDH7A1, HSD11B1 KCNA5 2048/4885KDM4E 2187/4885LMNA 3496/4885

“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.