SCHEMBL809040

SCHEMBL809040

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
EPHX2 P34913 2/20 0.41
GPR139 Q6DWJ6 2/20 0.41
HDAC3 O15379 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SSTR4 P31391 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL808623 0.87 LMNA (0.43) LMNAGAAMETAP2METAP1EPHX2
SCHEMBL808550 0.86 ALDH1A1 (0.45) LMNAGAAMETAP2METAP1EPHX2
SCHEMBL4338042 0.86 ALDH1A1 (0.45) LMNAGAAMETAP2METAP1EPHX2
SCHEMBL808687 0.85 LMNA (0.41) LMNAGAAMETAP2METAP1EPHX2
SCHEMBL808722 0.84 GAA (0.41) LMNAGAAMETAP2METAP1EPHX2
SCHEMBL4342785 0.84 GAA (0.41) LMNAGAAMETAP2METAP1EPHX2
SCHEMBL808911 0.84 LMNA (0.40) LMNAGAAMETAP2METAP1EPHX2
SCHEMBL808672 0.83 ALDH1A1 (0.43) LMNAGAAEPHX2GPR139HDAC3
SCHEMBL4344282 0.83 ALDH1A1 (0.43) LMNAGAAEPHX2GPR139HDAC3
SCHEMBL808670 0.83 METAP2 (0.40) LMNAGAAMETAP2METAP1EPHX2

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 2693/4885METAP2 4249/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885GAA 2693/4885METAP2 4249/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885GAA 2693/4885METAP2 4249/4885

“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.