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Sugi Predict / Compounds / SCHEMBL2790044

SCHEMBL2790044

SCHEMBL2790044

NC(=O)C1(C(=O)N(CC(O)(Cc2cccc3ccccc23)C(c2cccc3ccccc23)c2cccc3ccccc23)CC(O)(Cc2cccc3ccccc23)C(c2cccc3ccccc23)c2cccc3ccccc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ NPFFR1 Q9GZQ6 2/20 0.36
▸ NPFFR2 Q9Y5X5 2/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ MC4R P32245 2/20 0.34
▸ MC5R P33032 2/20 0.34
▸ MC3R P41968 2/20 0.34
▸ MC1R Q01726 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ METAP2 P50579 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN2A Q99250 1/20 0.33

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
SCHEMBL809047 0.96 METAP2 (0.34) OPRK1OPRD1NPFFR1NPFFR2OPRM1
SCHEMBL809107 0.96 METAP2 (0.34) OPRK1OPRD1NPFFR1NPFFR2OPRM1
SCHEMBL808863 0.95 METAP2 (0.35) OPRK1OPRD1NPFFR1NPFFR2OPRM1
SCHEMBL808690 0.90 OPRK1 (0.37) OPRK1OPRD1NPFFR1NPFFR2OPRM1
SCHEMBL808555 0.89 L3MBTL1 (0.41) OPRK1PARP10ALDH1A1HPGDCYP2C19
SCHEMBL808649 0.87 OPRK1 (0.40) OPRK1OPRD1NPFFR1NPFFR2OPRM1
SCHEMBL808640 0.87 OPRK1 (0.34) OPRK1ALDH1A1TDP1METAP2SCN5A
SCHEMBL808943 0.87 OPRK1 (0.34) OPRK1ALDH1A1TDP1METAP2SCN5A
SCHEMBL809132 0.86 OPRK1 (0.33) OPRK1ALDH1A1TDP1METAP2SCN5A
SCHEMBL2785871 0.85 L3MBTL1 (0.39) PARP10ALDH1A1HPGDCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRK1 334/4885OPRD1 769/4885NPFFR1 2817/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885OPRD1 769/4885NPFFR1 2817/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885OPRD1 769/4885NPFFR1 2817/4885

“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.