SCHEMBL808780

SCHEMBL808780

CCC(CC)(C(=O)N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccccc1C)Cc1ccccc1C)C(=O)N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccccc1C)Cc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGER4 P35408 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
DRD4 P21917 1/20 0.36
MAPT P10636 1/20 0.36
ALPG P10696 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL808855 0.92 PTGER4 (0.38) ALDH1A1MEN1KMT2APTGER4LMNA
SCHEMBL808880 0.92 MEN1 (0.36) ALDH1A1MEN1KMT2APTGER4SMN1; SMN2
SCHEMBL808767 0.89 OPRD1 (0.39) ALDH1A1MEN1KMT2APTGER4SMN1; SMN2
SCHEMBL808597 0.89 ALDH1A1 (0.43) ALDH1A1LMNAGAA
SCHEMBL808562 0.86 POLB (0.42) ALDH1A1MEN1KMT2APTGER4SMN1; SMN2
SCHEMBL809189 0.86 LMNA (0.44) ALDH1A1MEN1KMT2APTGER4LMNA
SCHEMBL808703 0.86 L3MBTL1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL808765 0.86 LMNA (0.39) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL808641 0.85 LMNA (0.41) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL808634 0.83 SSTR4 (0.38) ALDH1A1MEN1KMT2APTGER4SMN1; SMN2

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 ALDH1A1 897/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885MEN1 3119/4885KMT2A 4666/4885

“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.