SCHEMBL5954871

SCHEMBL5954871

CC(C)CC(C)(C)C[C@H](CC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSK P43235 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 3/20 0.38
POLB P06746 2/20 0.38
FKBP1A P62942 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5954877 1.00 CTSS (0.40) CTSSMEN1KMT2ACTSKL3MBTL1
SCHEMBL3006999 0.87 CTSS (0.46) CTSSMEN1KMT2ACTSKL3MBTL1
SCHEMBL3006996 0.87 CTSS (0.46) CTSSMEN1KMT2ACTSKL3MBTL1
SCHEMBL5954969 0.83 CTSS (0.39) CTSSMEN1KMT2ACTSKL3MBTL1
SCHEMBL5954976 0.83 CTSS (0.39) CTSSMEN1KMT2ACTSKL3MBTL1
SCHEMBL4037754 0.81 MEN1 (0.44) CTSSMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4044696 0.81 MEN1 (0.44) CTSSMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5954922 0.80 FKBP1A (0.50) CTSSMEN1KMT2ACTSKALDH1A1
SCHEMBL5955735 0.80 FKBP1A (0.50) CTSSMEN1KMT2ACTSKALDH1A1
SCHEMBL12308785 0.79 L3MBTL1 (0.44) CTSSL3MBTL1ALDH1A1PKMPOLB

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 8 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
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 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
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 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 (2 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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885MEN1 4458/4885KMT2A 4602/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885MEN1 4458/4885KMT2A 4602/4885

“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.