SCHEMBL3871084

SCHEMBL3871084

CCC(N)C(O)c1noc(C(C)(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 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
SCHEMBL3871086 1.00 KDM4E (0.32) KDM4EMAPK1TDP1CNR2
SCHEMBL8291578 1.00 KDM4E (0.32) KDM4EMAPK1TDP1CNR2
SCHEMBL5387758 0.85 HDAC4 (0.39)
SCHEMBL5387760 0.85 HDAC4 (0.39)
SCHEMBL8358739 0.85 HDAC4 (0.39)
SCHEMBL6280827 0.82
SCHEMBL6280830 0.82
SCHEMBL6280835 0.82
Trifluoroacetic Acid SCHEMBL5392342 0.78 HDAC4 (0.39)
Trifluoroacetic Acid SCHEMBL5392352 0.78 HDAC4 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO disclosed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP disclosed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US disclosed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 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 (4 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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE KDM4E 4451/4885MAPK1 3713/4885TDP1 2886/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE KDM4E 4451/4885MAPK1 3713/4885TDP1 2886/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE KDM4E 4405/4885MAPK1 2994/4885TDP1 2180/4885
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK KDM4E 3669/4885MAPK1 3462/4885TDP1 3375/4885

“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.