SCHEMBL1153232

SCHEMBL1153232

O=C(N[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CTRB1 P17538 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
ATM Q13315 2/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
MMP1 P03956 1/20 0.37
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL1153288 0.95 KDM4E (0.42) KDM4ELMNAMAPK1NPSR1CTRB1
SCHEMBL1153244 0.95 KDM4E (0.42) KDM4ELMNAMAPK1NPSR1CTRB1
SCHEMBL1153492 0.93 MMP1 (0.42) KDM4ELMNAMAPK1NPSR1CTRB1
SCHEMBL1152877 0.91 ATM (0.46) MAPK1NPSR1CTRB1NPC1RAB9A
SCHEMBL1152949 0.88 PPARG (0.44) LMNACTRB1MMP1CHRM3ALDH1A1
SCHEMBL1152803 0.88 CTRB1 (0.41) LMNANPSR1CTRB1NPC1RAB9A
SCHEMBL1153524 0.86 ATM (0.44) CTRB1ATMITGB1ITGA4MMP1
SCHEMBL1153600 0.86 ATM (0.44) CTRB1NPC1RAB9AATMITGB1
SCHEMBL1153369 0.85 ITGB1 (0.44) CTRB1ATMITGB1ITGA4MMP1
SCHEMBL1153904 0.84 CTRB1 (0.43) LMNACTRB1NPC1RAB9AATM

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 KDM4E 3354/4885LMNA 1389/4885MAPK1 2947/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 KDM4E 3354/4885LMNA 1389/4885MAPK1 2947/4885

“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.