SCHEMBL808562

SCHEMBL808562

Cc1ccccc1CC(O)(Cc1ccccc1C)[C@@H](NC(=O)CC(=O)N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccccc1C)Cc1ccccc1C)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PTGER4 P35408 1/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
ALPG P10696 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.38

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
SCHEMBL2785827 0.90 PTGER4 (0.41) POLBSMN1; SMN2PTGER4MEN1MAPT
SCHEMBL808767 0.88 OPRD1 (0.39) POLBSMN1; SMN2PTGER4MEN1MAPT
SCHEMBL808780 0.86 ALDH1A1 (0.37) SMN1; SMN2PTGER4MEN1MAPTKMT2A
SCHEMBL808689 0.85 ALDH1A1 (0.36) POLBSMN1; SMN2PTGER4MEN1MAPT
SCHEMBL808815 0.85 L3MBTL1 (0.46) PTGER4MEN1KMT2AALDH1A1HTT
SCHEMBL808550 0.85 ALDH1A1 (0.45) ALDH1A1LMNAGAA
SCHEMBL4338042 0.85 ALDH1A1 (0.45) ALDH1A1LMNAGAA
SCHEMBL808880 0.85 MEN1 (0.36) SMN1; SMN2PTGER4MEN1MAPTKMT2A
SCHEMBL808757 0.84 LMNA (0.42) SMN1; SMN2MEN1MAPTKMT2ANPSR1
SCHEMBL808942 0.84 ALDH1A1 (0.35) SMN1; SMN2PTGER4MEN1MAPTKMT2A

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 1740/4885SMN1; SMN2 4667/4885PTGER4 535/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE POLB 1740/4885SMN1; SMN2 4667/4885PTGER4 535/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE POLB 1740/4885SMN1; SMN2 4667/4885PTGER4 535/4885

“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.