SCHEMBL1153891

SCHEMBL1153891

Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C2(C(=O)N[C@H](c3ccccc3)C(O)(c3ccc(C)cc3)c3ccc(C)cc3)CCCCC2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.38
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
KEAP1 Q14145 3/20 0.36
NFE2L2 Q16236 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTR1E P28566 1/20 0.35
S1PR3 Q99500 1/20 0.35
PSMB5 P28074 1/20 0.34

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
SCHEMBL1154175 0.99 LMNA (0.43) LMNAALDH1A1SMN1; SMN2TP53ITGB1
SCHEMBL1153204 0.96 LMNA (0.43) LMNAALDH1A1SMN1; SMN2TP53ITGB1
SCHEMBL1152478 0.94 LMNA (0.45) LMNAALDH1A1SMN1; SMN2TP53KEAP1
SCHEMBL1152964 0.91 HDAC4 (0.37) LMNAALDH1A1MEN1KMT2A
SCHEMBL1154265 0.90 LMNA (0.37) LMNAALDH1A1KEAP1NFE2L2KMT2A
SCHEMBL1154227 0.87 LMNA (0.37) LMNAALDH1A1KEAP1NFE2L2
SCHEMBL1153416 0.87 FAAH (0.41) ALDH1A1MEN1KMT2A
SCHEMBL1153400 0.86 ALDH1A1 (0.41) ALDH1A1TP53MEN1KMT2A
SCHEMBL1153374 0.84 LMNA (0.39) LMNAALDH1A1
SCHEMBL1153060 0.83 ALDH1A1 (0.41) ALDH1A1TP53MEN1KMT2A

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 LMNA 1389/4885ALDH1A1 610/4885SMN1; SMN2 4666/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 LMNA 1389/4885ALDH1A1 610/4885SMN1; SMN2 4666/4885

“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.