SCHEMBL1153744

SCHEMBL1153744

CC(C)[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C(C)C)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.36
PDE7B Q9NP56 1/20 0.35
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LTA4H P09960 1/20 0.31
CNR2 P34972 1/20 0.30
CNR1 P21554 2/20 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
SCHEMBL1152942 0.98 MME (0.37) MMEPDE7BCYP3A4CYP2C9CYP2C19
SCHEMBL1153826 0.95 MME (0.33) MMEPDE7BCYP3A4CYP2C9CYP2C19
SCHEMBL1153500 0.91 CYP3A4 (0.33) MMEPDE7BCYP3A4CYP2C9CYP2C19
SCHEMBL1153538 0.81 MME (0.38) MMELTA4HCNR2
SCHEMBL1153712 0.79 MME (0.39) MMECYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL1153420 0.77 CYP3A4 (0.33) MMECYP3A4CYP2C9CYP2C19CNR2
SCHEMBL1153196 0.77 CYP3A4 (0.33) MMECYP3A4CYP2C9CYP2C19CNR2
SCHEMBL3541461 0.76 FPR3 (0.37) MMECNR2CNR1
SCHEMBL1152945 0.76 FPR3 (0.37) MMECNR2CNR1
SCHEMBL1152846 0.76 MME (0.35) MMECYP3A4CYP2C9CYP2C19CNR2

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 MME 4743/4885PDE7B 2310/4885CYP3A4 29/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MME 4743/4885PDE7B 2310/4885CYP3A4 29/4885

“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.