Sugi Predict

Sugi Predict / Compounds / SCHEMBL808976

SCHEMBL808976

SCHEMBL808976

CC(C)(C(=O)N[C@@H](c1ccc2ccccc2c1)C(C)(C)O)C(=O)N[C@@H](c1ccc2ccccc2c1)C(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.47
▸ UGT2B7 P16662 1/20 0.44
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GABRB1 P18505 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ UTS2R Q9UKP6 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4344623 1.00 MMP9 (0.47) MMP9UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL809198 0.89 MMP9 (0.45) MMP9UGT2B7GABRB1GABRB2UTS2R
SCHEMBL4345847 0.88 MMP9 (0.56) MMP9UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL4344455 0.86 MMP9 (0.43) MMP9UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL4336545 0.86 MMP9 (0.43) MMP9UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL4346679 0.85 MMP9 (0.47) MMP9UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL4337704 0.84 SLC6A2 (0.43) MMP9UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL4337375 0.83 NPC1 (0.44) MMP9UGT2B7MEN1KMT2ACYP1A2
SCHEMBL5464498 0.83 UTS2R (0.44) MMP9SLC6A2SLC6A4SLC6A3GABRB1
SCHEMBL4340505 0.81 NPC1 (0.46) MMP9MEN1KMT2ACYP1A2TSHR

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 MMP9 3535/4885UGT2B7 114/4885SLC6A2 4835/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MMP9 3535/4885UGT2B7 114/4885SLC6A2 4835/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MMP9 3535/4885UGT2B7 114/4885SLC6A2 4835/4885

“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.