SCHEMBL3777041

SCHEMBL3777041

O=C(O)C1CC=CCC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
KEAP1 Q14145 10/20 0.46
MMP2 P08253 5/20 0.46
MMP3 P08254 5/20 0.46
MMP9 P14780 5/20 0.46
MMP13 P45452 5/20 0.46
MMP1 P03956 4/20 0.46
NFE2L2 Q16236 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3779237 0.83 ALDH1A1 (0.42) CA12CA9
SCHEMBL3782967 0.81 MMP2 (0.54) CA12CA9KEAP1MMP2MMP3
SCHEMBL3787721 0.79 KEAP1 (0.56) CA12CA9KEAP1MMP2MMP3
SCHEMBL3781297 0.79 KEAP1 (0.56) CA12CA9KEAP1MMP2MMP3
SCHEMBL4743617 0.75 CYP1A2 (0.53) CA12CA9MMP2MMP3MMP9
SCHEMBL3777727 0.73 ACHE (0.44) CA12CA9KEAP1NFE2L2ATM
SCHEMBL14435543 0.73 CA12 (0.47) CA12CA9KEAP1MMP2MMP3
SCHEMBL5050954 0.71 CA12 (0.49) CA12CA9KEAP1MMP2MMP3
SCHEMBL30096658 0.71 CA12 (0.49) CA12CA9KEAP1MMP2MMP3
SCHEMBL5050905 0.71 CA12 (0.49) CA12CA9KEAP1MMP2MMP3

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 CA12 786/4885CA9 216/4885KEAP1 2640/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS CA12 784/4885CA9 221/4885KEAP1 2539/4885

“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.