SCHEMBL1153369

SCHEMBL1153369

Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](Cc2ccccc2)NC(=O)C2(C(=O)N[C@H](Cc3ccccc3)C(O)(c3ccc(C)cc3)c3ccc(C)cc3)CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.44
ITGA4 P13612 5/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 1/20 0.41
PSMB5 P28074 2/20 0.40
PSMB8 P28062 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB7 P26010 1/20 0.38
MME P08473 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TRPA1 O75762 1/20 0.36
CTRB1 P17538 1/20 0.36

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
SCHEMBL1153524 0.99 ATM (0.44) ITGB1ITGA4ATML3MBTL1MMP1
SCHEMBL1153600 0.97 ATM (0.44) ITGB1ITGA4ATML3MBTL1MMP1
SCHEMBL1152877 0.94 ATM (0.46) ITGB1ITGA4ATML3MBTL1PSMB5
SCHEMBL1153492 0.92 MMP1 (0.42) ITGB1ITGA4MMP1MMETRPA1
SCHEMBL1153288 0.91 KDM4E (0.42) ITGB1ITGA4ATMMMP1MME
SCHEMBL1153244 0.88 KDM4E (0.42) ITGB1ITGA4ATML3MBTL1MMP1
SCHEMBL1153735 0.88 KMT2A (0.42) ITGB1ITGA4MMP1SMN1; SMN2CNR2
SCHEMBL1154129 0.87 KMT2A (0.43) MMP1SMN1; SMN2CNR2MEN1KMT2A
SCHEMBL1153703 0.86 MMP1 (0.44) ITGB1ITGA4ATMMMP1MME
SCHEMBL1153232 0.85 KDM4E (0.44) ITGB1ITGA4ATML3MBTL1MMP1

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 ITGB1 1506/4885ITGA4 1344/4885ATM 2122/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ITGB1 1506/4885ITGA4 1344/4885ATM 2122/4885

“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.