SCHEMBL1152859

SCHEMBL1152859

CC(C)[C@@H](NC(=O)C1(C(=O)N[C@H](C(C)C)C(O)(c2ccccc2)c2ccccc2)CCC1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KCNA5 P22460 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
CTSL P07711 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
SCHEMBL1154104 0.97 ALDH1A1 (0.41) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1153485 0.96 ALDH1A1 (0.40) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1153795 0.94 ALDH1A1 (0.40) ALDH1A1LMNAHPGDKCNA5CYP2D6
SCHEMBL1153128 0.88 CASP1 (0.35) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1152673 0.86 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1153385 0.85 KEAP1 (0.34) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1153824 0.84 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CYP3A4CYP1A2
SCHEMBL1153231 0.84 MEN1 (0.34) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1153640 0.83 ALDH1A1 (0.38) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1152637 0.83 ALDH1A1 (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN

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 ALDH1A1 610/4885PSEN1 2926/4885PSEN2 3028/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885PSEN1 2926/4885PSEN2 3028/4885

“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.