SCHEMBL2835248

SCHEMBL2835248

CCC(CC)(CN[C@@H](c1cccc2ccccc12)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)CN[C@@H](c1cccc2ccccc12)C(O)(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
KDM4A O75164 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KCNJ11 Q14654 1/20 0.35
SCN2A Q99250 2/20 0.34
LTC4S Q16873 1/20 0.34
SCN5A Q14524 1/20 0.34
SLC6A4 P31645 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ADRA2C P18825 2/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2C P28335 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
CASR P41180 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL822174 0.91 KCNJ11 (0.36) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL2837002 0.89 SLC6A4 (0.37) KMT2AMEN1SLC6A4ALDH1A1ADRA2C
SCHEMBL821601 0.84 SLC6A4 (0.42) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL822306 0.80 SLC6A4 (0.36) KMT2AMEN1KCNJ11SLC6A4ALDH1A1
SCHEMBL808755 0.80 RAB9A (0.39) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL4338111 0.79 MEN1 (0.41) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL4340483 0.79 KCNJ11 (0.42) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL808743 0.76 KCNJ11 (0.40) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL4345709 0.76 KCNJ11 (0.40) KMT2AMEN1KDM4ACTDSP1KDM4C
SCHEMBL808930 0.75 KCNJ11 (0.44) KMT2AMEN1KDM4ACTDSP1KDM4C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 4666/4885MEN1 3119/4885KDM4A 3246/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885KDM4A 3246/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE KMT2A 4666/4885MEN1 3119/4885KDM4A 3246/4885

“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.