SCHEMBL3133383

SCHEMBL3133383

C=C1CC(C(=O)OCC)(C(=O)OCC)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.41
ALOX15 P16050 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
BRD4 O60885 1/20 0.36
OPRM1 P35372 6/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
MGAM O43451 1/20 0.34

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
SCHEMBL4759633 0.83 POLB (0.43) ATMPOLBALOX15MEN1KMT2A
SCHEMBL5526295 0.82 BRD4 (0.45) ATMPOLBALOX15MEN1KMT2A
SCHEMBL3147434 0.81 POLB (0.46) ATMPOLBALOX15MEN1KMT2A
SCHEMBL136687 0.80 ATM (0.44) ATMPOLBALOX15MEN1KMT2A
SCHEMBL8653250 0.79 POLB (0.41) ATMPOLBALOX15MEN1KMT2A
SCHEMBL8995766 0.78 POLB (0.43) ATMPOLBALOX15MEN1KMT2A
SCHEMBL1336071 0.77 ATM (0.56) ATMPOLBALOX15MEN1KMT2A
SCHEMBL69496 0.75 ALDH1A1 (0.46) ATMPOLBALOX15MEN1KMT2A
SCHEMBL18134201 0.75 ALDH1A1 (0.46) ATMPOLBALOX15MEN1KMT2A
SCHEMBL10427679 0.75 BRD4 (0.43) POLBMEN1KMT2ABRD4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
EP-2139854-A2 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE SCHERING CORPORATION (US) 2010-01-06 EP disclosed
WO-2009008913-A2 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE SCHERING CORPORATION (US) 2009-01-15 WO disclosed
WO-2009008913-A2 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE SCHERING CORPORATION (US) 2009-01-15 WO 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-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE CTRL, PREP, CES1 ATM 4852/4885POLB 3996/4885ALOX15 2114/4885

“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.