SCHEMBL13744172

SCHEMBL13744172

CC(C)(C)OC(=O)N1C(=O)N(C(=O)OC(C)(C)C)C2(CCCCC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
EPHX1 P07099 1/20 0.34
BUB1 O43683 1/20 0.34
LMNA P02545 1/20 0.33
NLRP3 Q96P20 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CTSK P43235 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DTYMK P23919 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL12084970 0.95 GRIN2B (0.42) GRIN2BGRIN2CEPHX1BUB1BCHE
SCHEMBL27078006 0.83 USP30 (0.36) GRIN2BGRIN2CKDM4EMAPTTHRB
SCHEMBL14445526 0.79 HSD11B1 (0.36) GRIN2BGRIN2CKDM4EMAPTTHRB
SCHEMBL14117581 0.77 GPR119 (0.39) LMNAKDM4EMAPTTHRBSMN1; SMN2
SCHEMBL14117673 0.77 BCHE (0.41) BCHEDTYMKUSP30
SCHEMBL14117596 0.76 STS (0.37) LMNAHPGDMAPTUSP2SMN1; SMN2
SCHEMBL3407611 0.76 NPFFR1 (0.46) USP2
SCHEMBL14117531 0.75 BACE1 (0.41) LMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL14117689 0.74 GPR119 (0.53) LMNAMAPTSMN1; SMN2USP30
SCHEMBL14117683 0.74 BCHE (0.39) GRIN2BGRIN2CBCHEDTYMK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 GRIN2B 4513/4885GRIN2C 4612/4885EPHX1 796/4885

“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.