SCHEMBL1153052

SCHEMBL1153052

COc1ccccc1C(O)(c1ccccc1OC)[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(c2ccccc2OC)c2ccccc2OC)CCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 17/20 0.42
ITGB1 P05556 16/20 0.42
ITGB7 P26010 14/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTRB1 P17538 1/20 0.40

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
SCHEMBL1152980 0.98 ITGA4 (0.44) ITGA4ITGB1ITGB7ALDH1A1GAA
SCHEMBL1154269 0.97 ITGA4 (0.43) ITGA4ITGB1ITGB7ALDH1A1GAA
SCHEMBL1153087 0.96 ALDH1A1 (0.42) ITGA4ITGB1ITGB7ALDH1A1GAA
SCHEMBL1154343 0.87 ANPEP (0.39) ITGA4ITGB1ITGB7ALDH1A1GAA
SCHEMBL1153771 0.84 L3MBTL1 (0.40) ITGA4ITGB1ITGB7ALDH1A1GAA
SCHEMBL4349532 0.84 CTRB1 (0.46) ITGA4ITGB7ALDH1A1GAACTRB1
SCHEMBL1154065 0.83 L3MBTL1 (0.40) ITGA4ITGB1ITGB7ALDH1A1GAA
SCHEMBL4337724 0.83 CTRB1 (0.45) ITGA4ITGB7ALDH1A1GAACTRB1
SCHEMBL1154001 0.83 KMT2A (0.43) ALDH1A1
SCHEMBL1153168 0.82 ANPEP (0.41) ALDH1A1GAA

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 ITGA4 1344/4885ITGB1 1506/4885ITGB7 159/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ITGA4 1344/4885ITGB1 1506/4885ITGB7 159/4885

“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.