SCHEMBL1153526

SCHEMBL1153526

Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](Cc2ccccc2)N(C(=O)C2(C(N)=O)CCCC2)[C@H](Cc2ccccc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.37
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM3 P20309 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN2A Q99250 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
SCHEMBL1153372 0.99 KIF11 (0.36) KIF11OPRK1KDM4ELMNAMAPK1
SCHEMBL1153602 0.98 KIF11 (0.37) KIF11OPRK1KDM4ELMNAMAPK1
SCHEMBL1152880 0.96 OPRK1 (0.40) KIF11OPRK1KDM4ELMNAMAPK1
SCHEMBL1153289 0.92 KDM4E (0.42) KIF11OPRK1KDM4ELMNAMAPK1
SCHEMBL1153494 0.91 KDM4E (0.41) OPRK1KDM4ELMNAMAPK1ITGB1
SCHEMBL1153247 0.90 KDM4E (0.42) OPRK1KDM4ELMNAMAPK1ALDH1A1
SCHEMBL1154131 0.89 PPARG (0.40) KIF11MAPK1ATMCHRM3PPARG
SCHEMBL1153736 0.88 PPARG (0.39) KIF11MAPK1ATMCHRM3ALDH1A1
SCHEMBL1153236 0.88 KDM4E (0.43) KIF11OPRK1KDM4ELMNAMAPK1
SCHEMBL1154006 0.87 PPARG (0.40) KIF11MAPK1ATMCHRM3PPARG

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 KIF11 2448/4885OPRK1 1341/4885KDM4E 3354/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 KIF11 2448/4885OPRK1 1341/4885KDM4E 3354/4885

“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.