SCHEMBL3777633

SCHEMBL3777633

CCOC(=O)C1C(CN2C(=O)c3ccccc3C2=O)C1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
MMP1 P03956 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3785359 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL27852443 0.76 TSHR (0.43) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL15265352 0.76 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL8528965 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL3779414 0.72 MMP2 (0.54) L3MBTL1MMP2MMP3MMP9MMP13
SCHEMBL3784242 0.71 MMP2 (0.50) MMP2MMP3MMP9MMP13MMP1
SCHEMBL3775994 0.70 MMP2 (0.49) L3MBTL1MMP2MMP3MMP9MMP13
SCHEMBL3769725 0.70 CA12 (0.44) ALDH1A1KMT2AMEN1MMP2MMP3
SCHEMBL3776153 0.70 MMP2 (0.46) ALDH1A1MMP2MMP3MMP9MMP13
SCHEMBL9798486 0.70 HPGD (0.63) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2

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 ALDH1A1 1979/4885KMT2A 1271/4885MEN1 495/4885
US-20100324305-A1 PRODUCTION METHOD OF POLYCYCLIC LACTAMS COASY, MRPL21, ASNS ALDH1A1 1821/4885KMT2A 1135/4885MEN1 393/4885

“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.