SCHEMBL5954976

SCHEMBL5954976

CC(C)(CC1CC1)CC(CC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
HTT P42858 1/20 0.37
CTSK P43235 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5954969 1.00 CTSS (0.39) CTSSHPGDPOLBMEN1KMT2A
SCHEMBL3006999 0.83 CTSS (0.46) CTSSHPGDPOLBMEN1KMT2A
SCHEMBL3006996 0.83 CTSS (0.46) CTSSHPGDPOLBMEN1KMT2A
SCHEMBL5954871 0.83 CTSS (0.40) CTSSHPGDPOLBMEN1KMT2A
SCHEMBL5954877 0.83 CTSS (0.40) CTSSHPGDPOLBMEN1KMT2A
SCHEMBL5955735 0.79 FKBP1A (0.50) CTSSHPGDPOLBMEN1KMT2A
SCHEMBL5954922 0.79 FKBP1A (0.50) CTSSHPGDPOLBMEN1KMT2A
SCHEMBL5755864 0.76 CTSS (0.52) CTSSCTSK
SCHEMBL5755859 0.76 CTSS (0.52) CTSSCTSK
SCHEMBL3020710 0.74 CTSS (0.48) CTSSHPGDPOLBMEN1KMT2A

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-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US claimed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO claimed
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 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-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885HPGD 1476/4885POLB 1961/4885

“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.