SCHEMBL1153852

SCHEMBL1153852

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.35
CASP8 Q14790 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 2/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
HPGD P15428 4/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 3/20 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
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 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
SCHEMBL1153294 0.97 MAPT (0.34) CASP1CASP8NPC1RAB9AMAPT
SCHEMBL1154187 0.96 MEN1 (0.34) CASP1CASP8NPC1RAB9AMAPT
SCHEMBL1154027 0.94 NPC1 (0.36) NPC1RAB9AMAPTKEAP1NFE2L2
SCHEMBL1153640 0.88 ALDH1A1 (0.38) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL1152414 0.86 MAPT (0.39) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1153357 0.85 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APSEN1PSEN2
SCHEMBL1153300 0.84 HSD11B1 (0.38) ALDH1A1CYP2D6CYP2C19
SCHEMBL1153128 0.84 CASP1 (0.35) CASP1CASP8NPC1RAB9AMAPT
SCHEMBL1153576 0.83 CASP1 (0.37) CASP1CASP8NPC1RAB9AMAPT
SCHEMBL1153086 0.83 MAPT (0.39) NPC1RAB9AMAPTHPGDALDH1A1

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 1694/4885NPC1 3293/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 CASP1 1981/4885CASP8 1694/4885NPC1 3293/4885

“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.