SCHEMBL1152879

SCHEMBL1152879

O=C(N[C@@H](CO)Cc1ccccc1)C1(C(=O)N[C@@H](CO)Cc2ccccc2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.61
MAPK1 P28482 2/20 0.55
CYP3A4 P08684 1/20 0.55
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 3/20 0.47
RPS6KA5 O75582 1/20 0.47
RPS6KA4 O75676 1/20 0.47
PRKACA P17612 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
PRKX P51817 1/20 0.47
PRKG1 Q13976 1/20 0.47
PKN2 Q16513 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
SGK2 Q9HBY8 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB1 P05556 3/20 0.43

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
SCHEMBL1153080 0.99 MME (0.60) MMEMAPK1CYP3A4ROCK2ROCK1
SCHEMBL1152668 0.97 MME (0.58) MMEMAPK1CYP3A4ROCK2ROCK1
SCHEMBL1153618 0.94 MAPK1 (0.57) MMEMAPK1CYP3A4ROCK2ROCK1
SCHEMBL7307468 0.91 MME (0.54) MMEMAPK1CYP3A4ROCK2ROCK1
SCHEMBL5600797 0.80 MME (0.47) MMEITGB1ITGA4MMP1CTRB1
SCHEMBL5600804 0.80 MME (0.47) MMEITGB1ITGA4MMP1CTRB1
SCHEMBL1153728 0.78 ITGB1 (0.43) MMENPC1RAB9AITGB1ITGA4
SCHEMBL6405528 0.78 MME (0.51) MMEMAPK1CYP3A4ROCK2ROCK1
SCHEMBL4330755 0.77 MAPK1 (0.68) MMEMAPK1CYP3A4ROCK2ROCK1
SCHEMBL3897966 0.77 MAPK1 (0.68) MMEMAPK1CYP3A4ROCK2ROCK1

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 4743/4885MAPK1 2947/4885CYP3A4 29/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MME 4743/4885MAPK1 2947/4885CYP3A4 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.