SCHEMBL1152965

SCHEMBL1152965

O=C(N[C@H](Cc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(Cc2ccccc2)Cc2ccccc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
MMP1 P03956 1/20 0.38
CTRB1 P17538 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 2/20 0.36
MAPT P10636 1/20 0.36
MME P08473 5/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPA1 O75762 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1153687 0.97 ITGB1 (0.40) ITGB1ITGA4MMP1CTRB1NPC1
SCHEMBL1153851 0.96 MMP1 (0.42) ITGB1ITGA4MMP1CTRB1NPC1
SCHEMBL1153947 0.95 CTRB1 (0.39) ITGB1ITGA4MMP1CTRB1NPC1
SCHEMBL1153212 0.88 MME (0.40) ITGB1ITGA4MMP1CTRB1NPC1
SCHEMBL1153781 0.87 PSEN1 (0.40) MMP1NPC1RAB9ACYP2D6MME
SCHEMBL1153806 0.86 MME (0.41) ITGB1ITGA4MMP1CTRB1NPC1
SCHEMBL1153392 0.86 MME (0.42) ITGB1ITGA4MMP1CTRB1NPC1
SCHEMBL1153045 0.85 CTRB1 (0.41) ITGB1ITGA4MMP1CTRB1NPC1
SCHEMBL1153703 0.85 MMP1 (0.44) ITGB1ITGA4MMP1CTRB1NPC1
SCHEMBL1153610 0.85 MMP1 (0.42) MMP1NPC1RAB9ACYP2D6MME

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 1344/4885MMP1 3864/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ITGB1 1506/4885ITGA4 1344/4885MMP1 3864/4885

“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.