SCHEMBL808627

SCHEMBL808627

CCCC(CCC)(C(=O)N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@@H](c1cccc2ccccc12)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 2/20 0.42
MMP8 P22894 1/20 0.41
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
ACP3 P15309 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.36
SSTR4 P31391 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL808838 0.92 LMNA (0.38) LMNAGAAEPHX2METAP2METAP1
SCHEMBL809208 0.92 LMNA (0.40) LMNAGAAEPHX2ALDH1A1MEN1
SCHEMBL809189 0.91 LMNA (0.44) LMNAGAAEPHX2MMP8METAP2
SCHEMBL809083 0.91 LMNA (0.40) LMNAGAAEPHX2METAP2METAP1
SCHEMBL808698 0.90 CASR (0.43) LMNAGAAEPHX2ACP3
SCHEMBL808634 0.90 SSTR4 (0.38) LMNAGAAMETAP2METAP1ALDH1A1
SCHEMBL808829 0.90 KMT2A (0.42) GAAALDH1A1MEN1KMT2A
SCHEMBL808783 0.90 ALDH1A1 (0.40) LMNAGAAEPHX2METAP2METAP1
SCHEMBL808564 0.89 POLB (0.45) EPHX2ALDH1A1
SCHEMBL808871 0.87 CNR2 (0.38) LMNAGAAEPHX2METAP2METAP1

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 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.