SCHEMBL3782967

SCHEMBL3782967

O=C(O)C1CCC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.54
MMP3 P08254 6/20 0.54
MMP9 P14780 6/20 0.54
MMP13 P45452 6/20 0.54
MMP1 P03956 5/20 0.54
KEAP1 Q14145 10/20 0.54
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
NFE2L2 Q16236 3/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL3781297 0.91 KEAP1 (0.56) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3787721 0.91 KEAP1 (0.56) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3787457 0.82 MMP2 (0.44) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3777041 0.81 CA12 (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL4743617 0.81 CYP1A2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL14435543 0.79 CA12 (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7229492 0.78 NPSR1 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL23089862 0.77 MMP2 (0.48) MMP2MMP3MMP9MMP13MMP1
SCHEMBL23089863 0.77 MMP2 (0.48) MMP2MMP3MMP9MMP13MMP1
SCHEMBL5050905 0.77 CA12 (0.49) MMP2MMP3MMP9MMP13MMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-20090118519-A1 Production Method of Polycyclic Lactams SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-07 US disclosed
EP-2014647-A1 PROCESS FOR PRODUCING POLYCYCLIC LACTAM Sumitomo Chemical Company, Limited (JP) 2009-01-14 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-20090118519-A1 Production Method of Polycyclic Lactams MRPL21, COASY, ASNS MMP2 1755/4885MMP3 3452/4885MMP9 2057/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS MMP2 1922/4885MMP3 3479/4885MMP9 2133/4885

“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.