SCHEMBL808622

SCHEMBL808622

CCCC(CCC)(C(=O)N[C@@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](c1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 2/20 0.38
METAP2 P50579 3/20 0.37
METAP1 P53582 3/20 0.37
SSTR4 P31391 1/20 0.37
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL808659 0.91 ALDH1A1 (0.40) ALDH1A1EPHX2METAP2METAP1CYP2C9
SCHEMBL808609 0.88 MTNR1A (0.40) ALDH1A1CYP2C9HPGDCYP2C19LMNA
SCHEMBL809083 0.87 LMNA (0.40) ALDH1A1EPHX2METAP2METAP1SSTR4
SCHEMBL808840 0.87 METAP2 (0.39) ALDH1A1EPHX2METAP2METAP1SSTR4
SCHEMBL808783 0.86 ALDH1A1 (0.40) ALDH1A1EPHX2METAP2METAP1SSTR4
SCHEMBL808627 0.85 LMNA (0.42) ALDH1A1EPHX2METAP2METAP1SSTR4
SCHEMBL4337174 0.84 ALDH1A1 (0.43) ALDH1A1EPHX2METAP2METAP1SSTR4
SCHEMBL808660 0.84 ALDH1A1 (0.43) ALDH1A1EPHX2METAP2METAP1SSTR4
SCHEMBL808871 0.84 CNR2 (0.38) ALDH1A1EPHX2METAP2METAP1SSTR4
SCHEMBL809015 0.83 MEN1 (0.43) ALDH1A1HTTLMNAGAA

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 8 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-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 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-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
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 ALDH1A1 897/4885EPHX2 369/4885METAP2 4249/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885EPHX2 369/4885METAP2 4249/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885EPHX2 369/4885METAP2 4249/4885

“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.