SCHEMBL1153576

SCHEMBL1153576

Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](C)NC(=O)C2(C(=O)N[C@H](C)C(O)(c3ccc(C)cc3)c3ccc(C)cc3)CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.37
CASP8 Q14790 1/20 0.37
KEAP1 Q14145 3/20 0.35
NFE2L2 Q16236 3/20 0.35
HPGD P15428 5/20 0.35
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL1153031 0.97 KEAP1 (0.35) CASP1CASP8KEAP1NFE2L2HPGD
SCHEMBL1153127 0.96 MEN1 (0.35) CASP1CASP8KEAP1NFE2L2HPGD
SCHEMBL1153715 0.94 HPGD (0.36) KEAP1NFE2L2HPGDRAB9AALDH1A1
SCHEMBL1152673 0.87 ALDH1A1 (0.43) HPGDALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1153128 0.86 CASP1 (0.35) CASP1CASP8KEAP1NFE2L2HPGD
SCHEMBL1153237 0.85 ALDH1A1 (0.41) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL1152637 0.84 ALDH1A1 (0.43) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1153012 0.84 ANPEP (0.39) CASP1CASP8KEAP1NFE2L2HPGD
SCHEMBL1153385 0.83 KEAP1 (0.34) CASP1CASP8KEAP1NFE2L2HPGD
SCHEMBL1153852 0.83 CASP1 (0.35) CASP1CASP8KEAP1NFE2L2HPGD

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 CASP1 1981/4885CASP8 1694/4885KEAP1 372/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 CASP1 1981/4885CASP8 1694/4885KEAP1 372/4885

“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.