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SCHEMBL809047

SCHEMBL809047

NC(=O)C1(C(=O)N(CC(O)(Cc2cccc3ccccc23)C(c2cccc3ccccc23)c2cccc3ccccc23)CC(O)(Cc2cccc3ccccc23)C(c2cccc3ccccc23)c2cccc3ccccc23)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.34
▸ OPRK1 P41145 3/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ NPFFR1 Q9GZQ6 2/20 0.33
▸ NPFFR2 Q9Y5X5 2/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ MC4R P32245 2/20 0.33
▸ MC5R P33032 2/20 0.33
▸ MC3R P41968 2/20 0.33
▸ MC1R Q01726 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN2A Q99250 1/20 0.32

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
SCHEMBL808863 0.99 METAP2 (0.35) METAP2OPRK1OPRD1NPFFR1NPFFR2
SCHEMBL809107 0.98 METAP2 (0.34) METAP2OPRK1OPRD1NPFFR1NPFFR2
SCHEMBL2790044 0.96 OPRK1 (0.36) METAP2OPRK1OPRD1NPFFR1NPFFR2
SCHEMBL808943 0.91 OPRK1 (0.34) METAP2OPRK1ALDH1A1TDP1SCN5A
SCHEMBL809132 0.90 OPRK1 (0.33) METAP2OPRK1ALDH1A1TDP1SCN5A
SCHEMBL2785871 0.89 L3MBTL1 (0.39) HPGDPARP10ALDH1A1MEN1KMT2A
SCHEMBL808640 0.89 OPRK1 (0.34) METAP2OPRK1ALDH1A1TDP1SCN5A
SCHEMBL808712 0.88 L3MBTL1 (0.39) METAP2HPGDPARP10ALDH1A1MEN1
SCHEMBL809299 0.87 OPRK1 (0.37) METAP2OPRK1OPRD1NPFFR1NPFFR2
SCHEMBL808535 0.87 L3MBTL1 (0.39) HPGDPARP10ALDH1A1MEN1KMT2A

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 METAP2 4249/4885OPRK1 334/4885OPRD1 769/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE METAP2 4249/4885OPRK1 334/4885OPRD1 769/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE METAP2 4249/4885OPRK1 334/4885OPRD1 769/4885

“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.