SCHEMBL808697

SCHEMBL808697

CC(C)(C(=O)NCC(O)(Cc1ccccc1)C(c1ccccc1)c1cccc2ccccc12)C(=O)NCC(O)(Cc1ccccc1)C(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.42
EPHX2 P34913 2/20 0.41
CTSG P08311 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
OPRK1 P41145 2/20 0.39
SLC6A4 P31645 1/20 0.38
ACP3 P15309 2/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2787812 0.90 KMT2A (0.36) MMP8EPHX2ALDH1A1LMNAGAA
SCHEMBL809190 0.89 EPHX2 (0.40) MMP8EPHX2CTSGALDH1A1LMNA
SCHEMBL808644 0.89 ALDH1A1 (0.43) MMP8EPHX2CTSGALDH1A1LMNA
SCHEMBL808964 0.88 PTPN1 (0.44) ALDH1A1GAAMEN1KMT2A
SCHEMBL808494 0.88 CTSG (0.37) MMP8EPHX2CTSGALDH1A1LMNA
SCHEMBL808628 0.87 EPHX2 (0.39) MMP8EPHX2CTSGALDH1A1LMNA
SCHEMBL808638 0.85 POLB (0.45) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL808681 0.85 SSTR4 (0.42) LMNAOPRK1MEN1KMT2A
SCHEMBL808709 0.84 CASR (0.43) CTSGLMNAACP3MEN1KMT2A
SCHEMBL808768 0.83 SMN1; SMN2 (0.38) ALDH1A1OPRK1MEN1KMT2A

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 MMP8 3635/4885EPHX2 369/4885CTSG 3818/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MMP8 3635/4885EPHX2 369/4885CTSG 3818/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MMP8 3635/4885EPHX2 369/4885CTSG 3818/4885

“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.