SCHEMBL3769725

SCHEMBL3769725

O=C(O)C1C2C=CC(O2)C1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MMP2 P08253 8/20 0.44
MMP3 P08254 8/20 0.44
MMP9 P14780 8/20 0.44
MMP13 P45452 8/20 0.44
MMP1 P03956 7/20 0.44
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3777053 0.84 ALDH1A1 (0.39) CA12CA9ALDH1A1KDM4ETP53
SCHEMBL3770081 0.77 MMP2 (0.48) CA12CA9MMP2MMP3MMP9
SCHEMBL3776153 0.75 MMP2 (0.46) CA12CA9MMP2MMP3MMP9
SCHEMBL3775994 0.75 MMP2 (0.49) CA12CA9MMP2MMP3MMP9
SCHEMBL3779414 0.74 MMP2 (0.54) CA12CA9MMP2MMP3MMP9
SCHEMBL3784242 0.73 MMP2 (0.50) CA12CA9MMP2MMP3MMP9
SCHEMBL3777633 0.70 ALDH1A1 (0.48) CA12CA9MMP2MMP3MMP9
SCHEMBL9880142 0.68 PPM1B (0.36) ALDH1A1LMNACYP1A2KDM4ETDP1
SCHEMBL3777041 0.67 CA12 (0.47) CA12CA9MMP2MMP3MMP9
SCHEMBL3782967 0.66 MMP2 (0.54) CA12CA9MMP2MMP3MMP9

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 216/4885MMP2 1755/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS CA12 784/4885CA9 221/4885MMP2 1922/4885

“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.