SCHEMBL3147192

SCHEMBL3147192

CCOC(=O)C1(NC(=O)OCc2ccccc2)CC(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.48
CTSL P07711 4/20 0.48
CTSB P07858 3/20 0.48
ADAM17 P78536 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTSK P43235 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.42
CASP1 P29466 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL1975915 0.88 CTSS (0.47) CTSSCTSLCTSBADAM17NPC1
SCHEMBL28719272 0.88 CTSS (0.47) CTSSCTSLCTSBADAM17NPC1
SCHEMBL2913795 0.87 CTSS (0.55) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL1974652 0.86 CTSB (0.51) CTSSCTSLCTSBADAM17NPC1
SCHEMBL10332172 0.85 CTSS (0.59) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL22041768 0.81 CTSS (0.50) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL17007927 0.81 CTSB (0.47) CTSSCTSLCTSBADAM17NPC1
SCHEMBL28715383 0.81 CTSS (0.47) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL1975740 0.80 CTSS (0.48) CTSSCTSLCTSBADAM17NPC1
SCHEMBL22041903 0.79 CTSS (0.47) CTSSCTSLCTSBNPC1RAB9A

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 CTSS 81/4885CTSL 121/4885CTSB 128/4885

“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.