SCHEMBL808781

SCHEMBL808781

CCC(CC)(C(=O)NCC(O)(Cc1ccccc1C)C(c1ccccc1C)c1cccc2ccccc12)C(=O)NCC(O)(Cc1ccccc1C)C(c1ccccc1C)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD4 P21917 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL808881 0.92 SMN1; SMN2 (0.35) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL808856 0.91 SSTR4 (0.39) MEN1KMT2AOPRD1OPRK1
SCHEMBL808768 0.90 SMN1; SMN2 (0.38) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL808563 0.88 SMN1; SMN2 (0.40) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL808704 0.86 CACNA1B (0.45) MEN1KMT2AALDH1A1
SCHEMBL809190 0.83 EPHX2 (0.40) ALDH1A1OPRK1
SCHEMBL808780 0.82 ALDH1A1 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1DRD4
SCHEMBL808635 0.82 SSTR4 (0.40) MEN1KMT2AALDH1A1OPRD1OPRK1
SCHEMBL808766 0.81 KMT2A (0.35) SMN1; SMN2MEN1KMT2AALDH1A1DRD4
SCHEMBL808642 0.81 MEN1 (0.36) MEN1KMT2AALDH1A1DRD4

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 SMN1; SMN2 4667/4885POLB 1740/4885MEN1 3119/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SMN1; SMN2 4667/4885POLB 1740/4885MEN1 3119/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SMN1; SMN2 4667/4885POLB 1740/4885MEN1 3119/4885

“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.