SCHEMBL820686

SCHEMBL820686

N[C@H](c1cccc2ccccc12)C(O)(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CA2 P00918 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ACP3 P15309 1/20 0.39
MTNR1A P48039 1/20 0.38
CTNNB1 P35222 1/20 0.38
CYP2D6 P10635 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CASR P41180 1/20 0.37

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
SCHEMBL27633095 1.00 CYP1A2 (0.41) CYP1A2CYP2C19CYP2C9ALDH1A1TDP1
SCHEMBL808691 0.88 ALDH1A1 (0.40) CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL808922 0.86 ACP3 (0.47) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL4341912 0.86 ACP3 (0.47) CYP1A2CYP2C19CYP2C9ALDH1A1HPGD
SCHEMBL808939 0.85 L3MBTL1 (0.46) CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL808940 0.85 L3MBTL1 (0.46) CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL27653541 0.83 CYP3A4 (0.35) CYP2C19ALDH1A1
SCHEMBL27653542 0.83 CYP3A4 (0.35) CYP2C19ALDH1A1
SCHEMBL1662289 0.81 ALDH1A1 (0.43) CYP1A2CYP2C19CYP2C9ALDH1A1ACP3
SCHEMBL808899 0.81 ALDH1A1 (0.43) CYP1A2CYP2C19CYP2C9ALDH1A1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 US disclosed
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN disclosed
EP-1593674-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-11-09 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-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof ACSL3, ADSL, SQLE CYP1A2 25/4885CYP2C19 103/4885CYP2C9 22/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CYP1A2 25/4885CYP2C19 103/4885CYP2C9 22/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CYP1A2 25/4885CYP2C19 103/4885CYP2C9 22/4885

“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.