SCHEMBL1153413

SCHEMBL1153413

CCCC(O)(CCC)[C@@H](C)NC(=O)C1(C(=O)N[C@H](C)C(O)(CCC)CCC)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MME P08473 1/20 0.33
CETP P11597 1/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1154117 0.98 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19MMETSHR
SCHEMBL1153699 0.95 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19MMETSHR
SCHEMBL1152983 0.92 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19
SCHEMBL1152431 0.87 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19MMECETP
SCHEMBL1154028 0.85 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19MME
SCHEMBL1153174 0.85 MME (0.31) MMELMNA
SCHEMBL1154254 0.84 TSHR (0.31) CYP3A4MMETSHRLMNANFKB1
SCHEMBL1154409 0.83 MME (0.32) CYP3A4CYP2C9CYP2C19MME
SCHEMBL1154005 0.82 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19MME
SCHEMBL1153262 0.82 TSHR (0.31) CYP3A4MMETSHRLMNANFKB1

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.