SCHEMBL1152968

SCHEMBL1152968

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
KCNA5 P22460 4/20 0.35
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HSD11B1 P28845 1/20 0.31
KCNH2 Q12809 1/20 0.31
KIF11 P52732 2/20 0.31
CYP2D6 P10635 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1154266 0.99 OPRK1 (0.41) OPRK1KCNA5KMT2AMEN1KEAP1
SCHEMBL1154229 0.96 OPRK1 (0.41) OPRK1KCNA5KMT2AMEN1KEAP1
SCHEMBL1153377 0.94 OPRK1 (0.46) OPRK1KCNA5KMT2AKEAP1NFE2L2
SCHEMBL1153896 0.93 OPRK1 (0.40) OPRK1KCNA5KMT2AMEN1KIF11
SCHEMBL1154177 0.92 OPRK1 (0.41) OPRK1KCNA5KIF11ALDH1A1LMNA
SCHEMBL1153417 0.90 MEN1 (0.39) OPRK1KMT2AMEN1KIF11CYP2D6
SCHEMBL1153207 0.89 OPRK1 (0.41) OPRK1KCNA5KIF11ALDH1A1LMNA
SCHEMBL1153404 0.89 OPRK1 (0.39) OPRK1KMT2AMEN1KIF11CYP2D6
SCHEMBL1152480 0.86 OPRK1 (0.45) OPRK1KCNA5KIF11ALDH1A1LMNA
SCHEMBL1153063 0.86 OPRK1 (0.39) OPRK1KMT2AMEN1KIF11CYP2D6

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 OPRK1 1341/4885KCNA5 2187/4885KMT2A 3425/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 OPRK1 1341/4885KCNA5 2187/4885KMT2A 3425/4885

“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.