SCHEMBL1153044

SCHEMBL1153044

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MME P08473 4/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
HDAC4 P56524 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
SCHEMBL1153869 0.97 FPR3 (0.38) FPR3FPR2PSEN1PSEN2APH1B
SCHEMBL1152945 0.95 FPR3 (0.37) FPR3FPR2PSEN1PSEN2APH1B
SCHEMBL3541461 0.95 FPR3 (0.37) FPR3FPR2PSEN1PSEN2APH1B
SCHEMBL1153571 0.93 FPR3 (0.39) FPR3FPR2TAS1R3TAS1R1CNR2
SCHEMBL6016728 0.82 FPR3 (0.34) FPR3FPR2TAS1R3TAS1R1CNR2
SCHEMBL1152846 0.78 MME (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1153826 0.75 MME (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1153595 0.75 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1153545 0.75 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1153712 0.74 MME (0.39) CNR2ALDH1A1KMT2AMME

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 FPR3 546/4885FPR2 1020/4885PSEN1 2926/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 FPR3 546/4885FPR2 1020/4885PSEN1 2926/4885

“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.