SCHEMBL808655

SCHEMBL808655

Cc1cccc(C(O)(c2cccc(C)c2)[C@@H](NC(=O)C2(C(=O)N[C@@H](c3cccc4ccccc34)C(O)(c3cccc(C)c3)c3cccc(C)c3)CCCC2)c2cccc3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SSTR4 P31391 1/20 0.34
PDE2A O00408 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
SCHEMBL808694 0.99 METAP2 (0.37) HDAC4LMNAALDH1A1MEN1MAPT
SCHEMBL808612 0.98 ALDH1A1 (0.36) HDAC4LMNAALDH1A1MEN1MAPT
SCHEMBL808666 0.96 ALDH1A1 (0.37) LMNAALDH1A1MEN1MAPTHTT
SCHEMBL809199 0.90 KCNJ11 (0.36) LMNAALDH1A1MEN1KMT2AMETAP2
SCHEMBL808685 0.90 ALDH1A1 (0.40) LMNAALDH1A1HTTMETAP2METAP1
SCHEMBL809050 0.89 METAP2 (0.38) LMNAALDH1A1MEN1KMT2AMETAP2
SCHEMBL809222 0.89 ALDH1A1 (0.39) LMNAALDH1A1HTTMETAP2METAP1
SCHEMBL809094 0.88 KCNJ11 (0.36) LMNAALDH1A1MEN1KMT2AMETAP2
SCHEMBL808985 0.88 KMT2A (0.37) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL809296 0.88 ALDH1A1 (0.40) LMNAALDH1A1HTTMETAP2METAP1

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 HDAC4 3579/4885LMNA 2541/4885ALDH1A1 897/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE HDAC4 3579/4885LMNA 2541/4885ALDH1A1 897/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE HDAC4 3579/4885LMNA 2541/4885ALDH1A1 897/4885

“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.