SCHEMBL808493

SCHEMBL808493

Cc1cccc(CC(O)(Cc2cccc(C)c2)[C@@H](NC(=O)C(C)(C)C(=O)N[C@@H](c2cccc3ccccc23)C(O)(Cc2cccc(C)c2)Cc2cccc(C)c2)c2cccc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 2/20 0.39
TACR1 P25103 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP8 P22894 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
PIN1 Q13526 1/20 0.37
CASR P41180 1/20 0.37

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
SCHEMBL808696 0.91 MMP8 (0.46) LMNAGAAEPHX2MEN1KMT2A
SCHEMBL4332587 0.91 MMP8 (0.46) LMNAGAAEPHX2MEN1KMT2A
SCHEMBL2787810 0.90 LMNA (0.40) LMNAGAAEPHX2MEN1KMT2A
SCHEMBL808641 0.89 LMNA (0.41) LMNAGAAEPHX2TACR1MEN1
SCHEMBL808708 0.89 CASR (0.48) LMNAGAAEPHX2MMP8CASR
SCHEMBL808801 0.88 LMNA (0.44) LMNAGAAEPHX2TACR1MEN1
SCHEMBL809208 0.88 LMNA (0.40) LMNAGAAEPHX2TACR1MEN1
SCHEMBL808637 0.87 POLB (0.47) LMNAGAADRD4ALDH1A1HTT
SCHEMBL808680 0.85 SSTR4 (0.41) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL808767 0.84 OPRD1 (0.39) LMNAGAAMEN1KMT2AALDH1A1

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 2693/4885EPHX2 369/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885GAA 2693/4885EPHX2 369/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE LMNA 2541/4885GAA 2693/4885EPHX2 369/4885

“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.