SCHEMBL1153595

SCHEMBL1153595

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSL P07711 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MME P08473 1/20 0.31
PSMB11 A5LHX3 1/20 0.30
PSMA7 O14818 1/20 0.30
PSMB1 P20618 1/20 0.30
PSMA1 P25786 1/20 0.30
PSMA2 P25787 1/20 0.30

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
SCHEMBL1153050 0.97 MME (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1152986 0.95 MME (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1153730 0.93 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19CTSLALDH1A1
SCHEMBL1154176 0.84 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6016728 0.83 FPR3 (0.34)
SCHEMBL1153562 0.81 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1153592 0.81 MME (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1154204 0.80 MME (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1153554 0.79 CYP3A4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1153262 0.78 TSHR (0.31) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 2926/4885PSEN2 3028/4885APH1B 1130/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 PSEN1 2926/4885PSEN2 3028/4885APH1B 1130/4885

“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.