SCHEMBL808494

SCHEMBL808494

Cc1cccc(CC(O)(CNC(=O)C(C)(C)C(=O)NCC(O)(Cc2cccc(C)c2)C(c2cccc(C)c2)c2cccc3ccccc23)C(c2cccc(C)c2)c2cccc3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
EPHX2 P34913 2/20 0.35
TACR1 P25103 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CASR P41180 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP8 P22894 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
DRD4 P21917 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
SCHEMBL808802 0.91 TP53 (0.38) CTSGCYP2D6CYP2C19TP53LMNA
SCHEMBL808642 0.90 MEN1 (0.36) CTSGCYP2D6CYP2C19TP53LMNA
SCHEMBL809209 0.90 LMNA (0.35) CTSGCYP2D6CYP2C19TP53LMNA
SCHEMBL808697 0.88 MMP8 (0.42) CTSGLMNAGAAEPHX2MEN1
SCHEMBL808638 0.86 POLB (0.45) CYP2C19LMNAEPHX2MEN1KMT2A
SCHEMBL808709 0.85 CASR (0.43) CTSGLMNAMEN1KMT2ACASR
SCHEMBL2787812 0.85 KMT2A (0.36) LMNAGAAEPHX2MEN1KMT2A
SCHEMBL808493 0.80 LMNA (0.42) LMNAGAAEPHX2TACR1MEN1
SCHEMBL808681 0.80 SSTR4 (0.42) LMNAMEN1KMT2AOPRD1OPRK1
SCHEMBL808768 0.80 SMN1; SMN2 (0.38) MEN1KMT2AOPRD1OPRK1ALDH1A1

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 CTSG 3818/4885CYP2D6 136/4885CYP2C19 103/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CTSG 3818/4885CYP2D6 136/4885CYP2C19 103/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE CTSG 3818/4885CYP2D6 136/4885CYP2C19 103/4885

“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.