SCHEMBL1153494

SCHEMBL1153494

NC(=O)C1(C(=O)N([C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)[C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
OPRK1 P41145 1/20 0.36
TSHR P16473 1/20 0.34
EPHX1 P07099 2/20 0.33
TRPA1 O75762 1/20 0.33
MMP1 P03956 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33
MME P08473 3/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 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
SCHEMBL1153289 0.99 KDM4E (0.42) KDM4ELMNAMAPK1OPRK1TSHR
SCHEMBL1153247 0.96 KDM4E (0.42) KDM4ELMNAMAPK1OPRK1TSHR
SCHEMBL1153236 0.94 KDM4E (0.43) KDM4ELMNAMAPK1OPRK1EPHX1
SCHEMBL1153372 0.92 KIF11 (0.36) KDM4ELMNAMAPK1OPRK1TRPA1
SCHEMBL1153526 0.91 KIF11 (0.37) KDM4ELMNAMAPK1OPRK1ALDH1A1
SCHEMBL1153736 0.90 PPARG (0.39) MAPK1ALDH1A1
SCHEMBL1153602 0.89 KIF11 (0.37) KDM4ELMNAMAPK1OPRK1ALDH1A1
SCHEMBL1154131 0.88 PPARG (0.40) MAPK1
SCHEMBL1154215 0.87 OPRK1 (0.42) OPRK1TSHREPHX1TRPA1MMP1
SCHEMBL1152880 0.86 OPRK1 (0.40) KDM4ELMNAMAPK1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
EP-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-09-06 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 (2 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-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof CYP3A7, GRK7, CYP2A7 KDM4E 3354/4885LMNA 1389/4885MAPK1 2947/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 KDM4E 3354/4885LMNA 1389/4885MAPK1 2947/4885

“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.