SCHEMBL376461

SCHEMBL376461

CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
SETD7 Q8WTS6 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NR1H2 P55055 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL25312339 0.91 NR1H2 (0.47) USP2SMN1; SMN2GPR119SETD7NR1H2
SCHEMBL6992304 0.89 HSD17B10 (0.47) USP2SMN1; SMN2GPR119SETD7HSD17B10
SCHEMBL375890 0.85 PDE4B (0.43) GPR119HSD17B10USP30ALDH1A1MEN1
SCHEMBL919744 0.82 NR1H2 (0.54) USP2SMN1; SMN2SETD7HSD17B10NR1H2
SCHEMBL1849268 0.82 NR1H2 (0.54) USP2SMN1; SMN2SETD7HSD17B10NR1H2
SCHEMBL282661 0.82 NR1H2 (0.54) USP2SMN1; SMN2SETD7HSD17B10NR1H2
SCHEMBL29695376 0.81 PARP1 (0.50) GPR119MEN1KMT2A
SCHEMBL1844031 0.81 PARP1 (0.52) SMN1; SMN2MMP1MMP3MMP7MMP9
SCHEMBL6623870 0.81 PARP1 (0.52) SMN1; SMN2MMP1MMP3MMP7MMP9
SCHEMBL2364954 0.81 HSD17B10 (0.51) USP2SMN1; SMN2GPR119SETD7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 US 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 (1 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 USP2 4009/4885SMN1; SMN2 4326/4885GPR119 2642/4885

“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.