SCHEMBL808596

SCHEMBL808596

NC(=O)C1(C(=O)N(CC(O)(Cc2ccc3ccccc3c2)C(c2ccc3ccccc3c2)c2cccc3ccccc23)CC(O)(Cc2ccc3ccccc3c2)C(c2ccc3ccccc3c2)c2cccc3ccccc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.36
MC5R P33032 4/20 0.36
MC1R Q01726 4/20 0.36
MC3R P41968 3/20 0.36
F7 P08709 9/20 0.35
F10 P00742 8/20 0.35
F2 P00734 6/20 0.35
CASR P41180 1/20 0.35
OPRK1 P41145 2/20 0.34
CTSG P08311 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ACP3 P15309 1/20 0.32
CMA1 P23946 1/20 0.32
HDAC1 Q13547 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL808866 0.96 CASR (0.36) MC4RMC5RMC1RMC3RF7
SCHEMBL809196 0.96 CASR (0.36) MC4RMC5RMC1RMC3RF7
SCHEMBL808646 0.96 CASR (0.35) MC4RMC5RMC1RMC3RF7
SCHEMBL809138 0.87 OPRK1 (0.36) F7F10F2OPRK1CTSG
SCHEMBL808649 0.87 OPRK1 (0.40) F7F10F2OPRK1CTSG
SCHEMBL808574 0.87 OPRK1 (0.36) F7F10F2OPRK1CTSG
SCHEMBL809154 0.87 PSEN1 (0.38) OPRK1ALDH1A1
SCHEMBL808721 0.86 POLB (0.39) OPRK1ALDH1A1
SCHEMBL808684 0.84 OPRK1 (0.33) F7F10F2OPRK1CTSG
SCHEMBL808714 0.84 OPRK1 (0.33) F7F10F2OPRK1CTSG

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 MC4R 3634/4885MC5R 2358/4885MC1R 3592/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MC4R 3634/4885MC5R 2358/4885MC1R 3592/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MC4R 3634/4885MC5R 2358/4885MC1R 3592/4885

“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.