SCHEMBL1153385

SCHEMBL1153385

Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C2(C(=O)N[C@H](C(C)C)C(O)(c3ccc(C)cc3)c3ccc(C)cc3)CCCC2)C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HPGD P15428 5/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.33
CASP8 Q14790 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
PSEN1 P49768 1/20 0.31

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
SCHEMBL1153231 0.99 MEN1 (0.34) KEAP1NFE2L2HPGDRAB9ANPC1
SCHEMBL1153128 0.97 CASP1 (0.35) KEAP1NFE2L2HPGDRAB9ANPC1
SCHEMBL1152998 0.94 HPGD (0.34) KEAP1NFE2L2HPGDRAB9ANPC1
SCHEMBL1154104 0.88 ALDH1A1 (0.41) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1153485 0.86 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2PSEN1PSEN2
SCHEMBL1153031 0.86 KEAP1 (0.35) KEAP1NFE2L2HPGDRAB9ANPC1
SCHEMBL1153502 0.86 ALDH1A1 (0.39) HPGDRAB9ANPC1POLBMEN1
SCHEMBL1152859 0.85 ALDH1A1 (0.41) HPGDNPC1MEN1KMT2AALDH1A1
SCHEMBL1153127 0.85 MEN1 (0.35) KEAP1NFE2L2HPGDRAB9ANPC1
SCHEMBL1152917 0.85 ALDH1A1 (0.39) RAB9ANPC1POLBMEN1KMT2A

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 KEAP1 372/4885NFE2L2 1711/4885HPGD 4153/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 KEAP1 372/4885NFE2L2 1711/4885HPGD 4153/4885

“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.