SCHEMBL808767

SCHEMBL808767

Cc1ccccc1CC(O)(Cc1ccccc1C)[C@@H](NC(=O)C(C)(C)C(=O)N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccccc1C)Cc1ccccc1C)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGER4 P35408 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 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
SCHEMBL808680 0.92 SSTR4 (0.41) OPRD1OPRK1ALDH1A1PTGER4LMNA
SCHEMBL808780 0.89 ALDH1A1 (0.37) ALDH1A1PTGER4SMN1; SMN2LMNAGAA
SCHEMBL808562 0.88 POLB (0.42) ALDH1A1PTGER4SMN1; SMN2LMNAGAA
SCHEMBL808880 0.87 MEN1 (0.36) ALDH1A1PTGER4SMN1; SMN2LMNAGAA
SCHEMBL808696 0.86 MMP8 (0.46) ALDH1A1PTGER4LMNAGAAMEN1
SCHEMBL4332587 0.86 MMP8 (0.46) ALDH1A1PTGER4LMNAGAAMEN1
SCHEMBL808607 0.86 L3MBTL1 (0.45) ALDH1A1PTGER4LMNAGAAMEN1
SCHEMBL808745 0.86 ALDH1A1 (0.43) OPRD1OPRK1ALDH1A1LMNAGAA
SCHEMBL4344196 0.86 ALDH1A1 (0.43) OPRD1OPRK1ALDH1A1LMNAGAA
SCHEMBL2787810 0.85 LMNA (0.40) ALDH1A1LMNAGAAMEN1MAPT

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-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
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 OPRD1 769/4885OPRK1 334/4885ALDH1A1 897/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRD1 769/4885OPRK1 334/4885ALDH1A1 897/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRD1 769/4885OPRK1 334/4885ALDH1A1 897/4885

“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.