SCHEMBL808772

SCHEMBL808772

CCC(CC)(C(=O)NCC(O)(Cc1cccc(OC)c1)C(c1cccc(OC)c1)c1cccc2ccccc12)C(=O)NCC(O)(Cc1cccc(OC)c1)C(c1cccc(OC)c1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
HTR2C P28335 2/20 0.41
EPHX2 P34913 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR1 P25103 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 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
SCHEMBL808565 0.94 POLB (0.43) POLBMTNR1AMTNR1BHTR2CEPHX2
SCHEMBL808638 0.91 POLB (0.45) POLBMTNR1AMTNR1BHTR2CEPHX2
SCHEMBL808844 0.90 POLB (0.47) POLBMTNR1AMTNR1BHTR2CEPHX2
SCHEMBL808806 0.86 CACNA1B (0.44) MTNR1AMTNR1BHTR2CSMN1; SMN2MEN1
SCHEMBL808642 0.86 MEN1 (0.36) EPHX2MEN1LMNAMAPTCYP2C19
SCHEMBL809190 0.86 EPHX2 (0.40) EPHX2LMNAALDH1A1
SCHEMBL808553 0.85 CASR (0.40) MEN1LMNAKMT2A
SCHEMBL808771 0.81 POLB (0.46) POLBMTNR1AMTNR1BHTR2CEPHX2
SCHEMBL808830 0.81 PTPN1 (0.41) MTNR1AMTNR1BHTR2CSMN1; SMN2MEN1
SCHEMBL808628 0.80 EPHX2 (0.39) EPHX2MEN1LMNAKMT2AALDH1A1

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 POLB 1740/4885MTNR1A 3901/4885MTNR1B 3691/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE POLB 1740/4885MTNR1A 3901/4885MTNR1B 3691/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE POLB 1740/4885MTNR1A 3901/4885MTNR1B 3691/4885

“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.