SCHEMBL1153791

SCHEMBL1153791

O=C(N[C@H](Cc1ccccc1)C1(O)CCC1)C1(C(=O)N[C@H](Cc2ccccc2)C2(O)CCC2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.40
ITGA4 P13612 3/20 0.40
MMP1 P03956 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 2/20 0.38
MME P08473 1/20 0.38
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CTRB1 P17538 2/20 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
SCHEMBL1152782 0.99 ITGB1 (0.42) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1152885 0.99 ITGB1 (0.42) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1153676 0.97 MMP1 (0.44) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1153931 0.97 MMP1 (0.44) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1153728 0.97 ITGB1 (0.43) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1153140 0.97 ITGB1 (0.40) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1153623 0.96 MMP1 (0.44) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1153888 0.96 MMP1 (0.44) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1152902 0.96 MMP1 (0.44) ITGB1ITGA4MMP1NPC1RAB9A
SCHEMBL1153669 0.94 ITGB1 (0.43) ITGB1ITGA4MMP1NPC1RAB9A

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.