Sugi Predict

Sugi Predict / Compounds / SCHEMBL808835

SCHEMBL808835

SCHEMBL808835

COc1cccc(CC(O)(CN(CC(O)(Cc2cccc(OC)c2)C(c2cccc(OC)c2)c2cccc3ccccc23)C(=O)C2(C(N)=O)CCCCC2)C(c2cccc(OC)c2)c2cccc3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MTNR1A P48039 4/20 0.33
▸ MTNR1B P49286 4/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ THRB P10828 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
SCHEMBL2787074 0.99 POLB (0.38) POLBSLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL808726 0.98 POLB (0.38) POLBKDM4EALDH1A1KMT2ACYP3A4
SCHEMBL808721 0.96 POLB (0.39) POLBKDM4EALDH1A1KMT2ACYP3A4
SCHEMBL809082 0.88 OPRK1 (0.33) ALDH1A1KMT2ACYP3A4MEN1MAPT
SCHEMBL808786 0.88 PSEN1 (0.36) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL809277 0.87 OPRK1 (0.34) ALDH1A1KMT2ACYP3A4MEN1MAPT
SCHEMBL808693 0.87 PSEN1 (0.37) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL808646 0.87 CASR (0.35) —
SCHEMBL808749 0.87 OPRK1 (0.37) ALDH1A1
SCHEMBL809196 0.86 CASR (0.36) —

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 POLB 1740/4885SLC6A2 4835/4885SLC6A4 4576/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE POLB 1740/4885SLC6A2 4835/4885SLC6A4 4576/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE POLB 1740/4885SLC6A2 4835/4885SLC6A4 4576/4885

“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.