SCHEMBL1153492

SCHEMBL1153492

O=C(N[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
ITGB1 P05556 8/20 0.41
ITGA4 P13612 8/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MME P08473 4/20 0.38
CTRB1 P17538 1/20 0.37
TRPA1 O75762 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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 0.99 KDM4E (0.42) MMP1ITGB1ITGA4KDM4ELMNA
SCHEMBL1153244 0.96 KDM4E (0.42) MMP1ITGB1ITGA4KDM4ELMNA
SCHEMBL1153232 0.93 KDM4E (0.44) MMP1ITGB1ITGA4KDM4ELMNA
SCHEMBL1153369 0.92 ITGB1 (0.44) MMP1ITGB1ITGA4MMECTRB1
SCHEMBL1153524 0.90 ATM (0.44) MMP1ITGB1ITGA4MMECTRB1
SCHEMBL1153735 0.89 KMT2A (0.42) MMP1ITGB1ITGA4LMNA
SCHEMBL1153703 0.89 MMP1 (0.44) MMP1ITGB1ITGA4MMECTRB1
SCHEMBL1153600 0.88 ATM (0.44) MMP1ITGB1ITGA4CTRB1NPC1
SCHEMBL1154129 0.87 KMT2A (0.43) MMP1LMNA
SCHEMBL1153392 0.87 MME (0.42) MMP1ITGB1ITGA4NPSR1MME

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

“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.