SCHEMBL809276

SCHEMBL809276

Cc1cccc(CC(O)(Cc2cccc(C)c2)[C@@H](NC(=O)C2(C(=O)N[C@@H](c3cccc4ccccc34)C(O)(Cc3cccc(C)c3)Cc3cccc(C)c3)CCCC2)c2cccc3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
TACR1 P25103 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD4 P21917 1/20 0.37
EPHX2 P34913 2/20 0.36
METAP2 P50579 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASR P41180 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL809081 0.99 LMNA (0.38) LMNAGAATACR1MEN1KMT2A
SCHEMBL808614 0.98 LMNA (0.39) LMNAGAATACR1MEN1KMT2A
SCHEMBL808573 0.96 LMNA (0.40) LMNAGAATACR1MEN1KMT2A
SCHEMBL808713 0.92 LMNA (0.38) LMNAGAATACR1MEN1KMT2A
SCHEMBL808630 0.91 METAP2 (0.37) LMNAGAATACR1DRD4EPHX2
SCHEMBL809298 0.91 LMNA (0.40) LMNAGAAMEN1KMT2AEPHX2
SCHEMBL809195 0.90 CASR (0.43) LMNAGAATACR1CASR
SCHEMBL808683 0.90 LMNA (0.38) LMNAGAATACR1MEN1KMT2A
SCHEMBL808748 0.89 LMNA (0.39) LMNAGAAMEN1KMT2AEPHX2
SCHEMBL808645 0.89 CASR (0.43) LMNAGAAMETAP2CASRALDH1A1

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 LMNA 2541/4885GAA 2693/4885TACR1 4032/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885GAA 2693/4885TACR1 4032/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885GAA 2693/4885TACR1 4032/4885

“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.