SCHEMBL1153500

SCHEMBL1153500

CC(C)[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.32
CNR1 P21554 2/20 0.32
MME P08473 1/20 0.32
PAX8 Q06710 1/20 0.31
TRPV3 Q8NET8 2/20 0.30
PDE7B Q9NP56 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL1153826 0.92 MME (0.33) CYP3A4CYP2C9CYP2C19CNR2CNR1
SCHEMBL1152942 0.92 MME (0.37) CYP3A4CYP2C9CYP2C19CNR2CNR1
SCHEMBL1153744 0.91 MME (0.36) CYP3A4CYP2C9CYP2C19CNR2CNR1
SCHEMBL1153446 0.79 MME (0.33) CYP3A4CYP2C9CYP2C19CNR2CNR1
SCHEMBL1153180 0.74 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19CNR2
SCHEMBL1152799 0.74 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19CNR2
SCHEMBL4330718 0.73 CNR1 (0.36) CNR2CNR1PAX8CA1CA2
SCHEMBL1153571 0.73 FPR3 (0.39) CNR2CNR1MME
SCHEMBL1152846 0.72 MME (0.35) CYP3A4CYP2C9CYP2C19CNR2MME
SCHEMBL1153712 0.72 MME (0.39) CYP3A4CYP2C9CYP2C19CNR2MME

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 CYP3A4 29/4885CYP2C9 24/4885CYP2C19 34/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 CYP3A4 29/4885CYP2C9 24/4885CYP2C19 34/4885

“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.